Home Formula This Compound
loading

Formula of Ethinyl estradiol (C20H24O2)

Identification of Ethinyl estradiol Chemical Compound

2D chemical structure image of ethinyl estradiol
Chemical Formula C20H24O2
Molecular Weight 296.40336 g/mol
IUPAC Name (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
SMILES String CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C
InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey BFPYWIDHMRZLRN-SLHNCBLASA-N

Chemical Formula Description

The ethinyl estradiol molecule contains a total of 46 atom(s). There are 24 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of ethinyl estradiol can therefore be written as:

C20H24O2

The chemical formula of ethinyl estradiol shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of ethinyl estradiol
Ball-and-stick model of ethinyl estradiol

chemical table area

loading image

Search Another Formula

Enter another compound to search for formula:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Ethinyl estradiol Molecule


  • InChI (IUPAC International Chemical Identifier) information of ethinyl estradiol

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of ethinyl estradiol is:

    InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

    It can provide a standard way to encode the molecular information of ethinyl estradiol to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ethinyl estradiol is:

    InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N

    The InChIKey may allow easier web searches for ethinyl estradiol, but it needs to be linked to the full InChI to get back to the original structure of the ethinyl estradiol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of ethinyl estradiol

    The ethinyl estradiol compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of ethinyl estradiol including the registry numbers is given below, if available:

    • 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl-
    • 17alpha-Ethynyloestradiol
    • 17alpha-Ethinylestradiol-17beta
    • 17alpha-Ethinylestradiol
    • 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene
    • 17-alpha-Ethynylestradiol-17-beta
    • 17-alpha-Ethynylestradiol
    • 17-alpha-Ethynyl-17-beta-oestradiol
    • 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol
    • 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol
    • 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol
    • 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol
    • 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol
    • 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol
    • 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene
    • 17-alpha-Ethinyl-17-beta-estradiol
    • 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene
    • (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol
    • (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol
    • component of Zorane
    • component of Ovral
    • component of Ortrel
    • component of Oracon
    • component of Norlestrin
    • component of Estopherol
    • component of Demulen
    • Ylestrol
    • Spanestrin
    • Progynon C
    • Primogyn M
    • Primogyn C
    • Primogyn
    • Perovex
    • Palonyl
    • Orestrayln
    • Orestralyn
    • Oradiol
    • Novestrol
    • Nogest-S
    • Neo-Estrone
    • Menolyn
    • Lynoral
    • Linoral
    • Inestra
    • Ginestrene
    • Follicoral
    • Feminone
    • Etistradiol
    • Etinoestryl
    • Etinestryl
    • Etinestrol
    • Eticylol
    • Eticyclol
    • Eticyclin
    • Ethynylestradiol
    • Ethinyloestradiol
    • Ethinylestriol
    • Ethinoral
    • Ethidol
    • Estradiol, 17-ethynyl-
    • Estra-1,3,5[10]-triene-3,17.beta.-diol, 17-ethynyl-
    • Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-
    • Estra-1,3,5(10)-triene-3,17.beta.-diol, 17-ethynyl-
    • Estorals
    • Estoral [Orion]
    • Estoral (Orion)
    • Estoral
    • Eston-E
    • Estinyl
    • Estigyn
    • Esteed
    • Ertonyl
    • EE
    • Dyloform
    • Diogyn-E
    • Diogyn E
    • Diognat-E
    • Chee-O-Genf
    • Chee-O-Gen
    • Amenoron
    • 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene
    • 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene
    • 19-nor-17.alpha.-Pregna-1,3,5(10)-trien-2-yne-3,17-diol
    • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-
    • 19-Nor-17.alpha.-pregna-1,3,5[10]-trien-20-yne-3,17-diol
    • 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol
    • 17.beta.-Estradiol, 17-ethynyl-
    • 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol
    • 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol
    • 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene
    • 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta.-diol
    • 17.alpha.-Ethynyloestradiol-17.beta.
    • 17.alpha.-Ethynyloestradiol
    • 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
    • 17.alpha.-Ethynylestradiol-l7.beta.
    • 17.alpha.-Ethynylestradiol
    • 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol
    • 17.alpha.-Ethynyl-17.beta.-oestradiol
    • 17.alpha.-Ethynyl-1,3,5-oestratriene-3,17.beta.-diol
    • 17.alpha.-Ethynyl-1,3,5-estratriene-3,17.beta.-diol
    • 17.alpha.-Ethinylestradiol
    • 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene
    • 17.alpha.-Ethinyl-17.beta.-estradiol
    • 17-Ethynyloestradiol
    • 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
    • 17-Ethynylestradiol
    • 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene
    • 17-Ethinylestradiol
    • 17-Ethinyl-3,17-oestradiol
    • 17-Ethinyl-3,17-estradiol
    • Ethinylestradiol (JP15/INN)
    • Ethinyl estradiol (USP)
    • Estinyl (TN)
    • D00554
    • 17alpha-ethynylestradiol
    • 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol
    • SGCUT00127
    • 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol
    • 17a-Ethynylestradiol
    • 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol
    • LMST02010036
    • 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol
    • Ethynyl estradiol
    • Ethinylestradiol
    • Ethinyl estradiol
    • 17alpha-Ethinyl estradiol
    • Ortho-Cyclen
    • Norethin 1/35 E
    • Microfollin
    • Levlen
    • Halodrin
    • Etinilestradiolo [DCIT]
    • Etinilestradiol [INN-Spanish]
    • Ethynyloestradiol
    • Ethinyloestradiol [Steroidal oestrogens]
    • Ethinylestradiolum [INN-Latin]
    • Ethinyl-oestranol
    • Ethinyl E2
    • Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl-
    • Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl-
    • EE(sub 2)
    • Diprol
    • Aethinyoestradiol [German]
    • Aethinyloestradiolum
    • 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene
    • 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene
    • 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene
    • 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene
    • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-
    • 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
    • 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol
    • 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
    • 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol
    • 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol
    • 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol
    • 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene
    • 57-63-6
    • 77538-56-8
    • Estoral (VAN)
    • Estopherol
    • EO
    • EE2

Ethinyl estradiol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethinyl estradiol?
C20H24O2
How many atoms and what are they in the ethinyl estradiol structure?
46 atom(s) - 24 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what are they in the ethinyl estradiol structure?
49 bond(s) - 25 non-H bond(s), 7 multiple bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 tertiary alcohol(s)
What’s the molecular weight of ethinyl estradiol?
296.40336 g/mol
What’s the SMILES string of ethinyl estradiol?
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C
What’s the InChI of ethinyl estradiol?
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
What’s the InChIKey of ethinyl estradiol?
BFPYWIDHMRZLRN-SLHNCBLASA-N

1464 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.