Structure & Deep Data of Estradiol (C18H24O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The estradiol molecule contains a total of 47 bond(s). There are 23 non-H bond(s), 6 multiple 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 secondary alcohol(s). Images of the chemical structure of estradiol are given below:

The 2D chemical structure image of estradiol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of estradiol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of estradiol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of estradiol. Download structure data file (SDF/MOL) file of this compound.

---

chemical table area

Search Another Chemical Structure

Enter another compound to search for chemical structure:

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 Estradiol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of estradiol

  The SMILES string of estradiol is CC34CCC1C(CCc2cc(O)ccc12)C3CCC4O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the estradiol.

• Structure Data File (SDF/MOL File) of estradiol

  The structure data file (SDF/MOL File) of estradiol is available for download in the SDF page of estradiol, which provides the information about the atoms, bonds, connectivity and coordinates of estradiol. The estradiol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of estradiol

  The molecular formula of estradiol is available in chemical formula page of estradiol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of estradiol

  The molecular weight of estradiol is available in molecular weight page of estradiol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of estradiol

  The estradiol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of estradiol including the various registry numbers, if available:

  • 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol
  • 17beta estradiol (E2)
  • Ovocycline
  • beta-Estradiol hemihydrate
  • 17-beta-estradiol
  • nchembio.76-comp2
  • (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, homopolymer
  • (8S,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • progynon

  • Polyestradiol
  • component of Menrium
  • cis-Oestradiol
  • cis-Estradiol
  • Trocosone
  • Theelin, dihydro-
  • Ovocylin
  • nchembio860-comp1
  • Oestradiol-17.beta.
  • Oestradiol

  • Oestra-1,3,5(10)-triene-3,17.beta.-diol
  • Oestergon
  • Nordicol
  • Menest
  • Macrodiol
  • Lamdiol
  • Gynoestryl
  • Gynergon
  • Ginosedol
  • Follicyclin

  • Femogen
  • Femestrol
  • Femestral
  • Estrovite
  • Estrogens, esterified
  • Estraldine
  • Estradiol-17.beta.
  • Estradiol, .beta.-
  • Estrace
  • Estra-1,3,5(10)-triene-3,17.beta.-diol

  • Estra-1,3,5(10)-triene-3,17-diol, (17.beta.)-
  • Diogynets
  • Diogyn
  • Dimenformon
  • Dihydroxyoestrin
  • Dihydroxyestrin
  • Dihydroxyesterin
  • Dihydrotheelin
  • Dihydromenformon
  • Dihydrofolliculin

  • Dihydrofollicular hormone
  • D-Oestradiol
  • D-Estradiol
  • D-3,17.beta.-Oestradiol
  • D-3,17.beta.-Estradiol
  • Corpagen
  • Bardiol
  • Aquadiol
  • Amnestrogen
  • Altrad

  • 3,17.beta.-Estradiol
  • 3,17.beta.-Dihydroxyoestra-1,3,5-triene
  • 3,17.beta.-Dihydroxyestra-1,3,5-triene
  • 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene
  • 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene
  • 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene
  • 3,17-Epidihydroxyoestratriene
  • 3,17-Epidihydroxyestratriene
  • 17.beta.-Oestradiol
  • 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol

  • 17.beta.-OH-oestradiol
  • 17.beta.-OH-estradiol
  • 17.beta.-Estradiol
  • 17.beta.-Estra-1,3,5(10)-triene-3,17-diol
  • 1,3,5-Estratriene-3,17.beta.-diol
  • .beta.-Oestradiol
  • .beta.-Estradiol
  • .alpha.-Oestradiol
  • .alpha.-Estradiol
  • estra-1(10),2,4-triene-3,17-diol, (17beta)-

  • 17beta-estra-1,3,5(10)-triene-3,17-diol
  • (17beta)-estra-1,3,5(10)-triene-3,17-diol
  • LMST02010001
  • estradiol-17beta
  • estradiol
  • beta-Estradiol
  • 17beta-Oestradiol
  • Estradiol-17 beta
  • Zumenon
  • Zerella

  • Vivelle
  • Vagifem
  • Trial SAT
  • Tradelia
  • Systen
  • Sisare Gel
  • Sandrena Gel
  • Ovociclina
  • Oestrogynal
  • Oestradiolum

  • Oestradiol-17beta and esters [Steroidal oestrogens]
  • Oestradiol-17beta
  • Oestradiol-17-beta
  • Oestradiol R
  • Oestradiol Berco
  • Oestra-1,3,5(10)-triene-3,17beta-diol
  • Oestra-1,3,5(10)-triene-3,17-beta-diol
  • Oesclim
  • Microdiol
  • Menorest

  • Macrol
  • Gynestrel
  • GynPolar
  • Ginedisc
  • Femtran
  • Fempatch
  • Extrasorb
  • Evorel
  • Estrogel
  • Estrofem Forte

  • Estrofem 2
  • Estrodiolum [INN-Latin]
  • Estroclim 50
  • Estring
  • Estrifam
  • Estreva
  • Estrasorb
  • Estrapak 50
  • Estradiolum [INN]
  • Estradiolo [DCIT]

  • Estradiol-3,17beta
  • Estradiol-17-beta
  • Estradiol [USAN:INN]
  • Estraderm TTS 50
  • Estraderm TTS
  • Estraderm MX
  • Estraderm
  • Estra-1,3,5(10)-triene-3,17beta-diol
  • Estra-1,3,5(10)-triene-3,17-diol, (17beta)-
  • Estra-1,3,5(10)-triene-3,17-beta-diol

  • Encore
  • E(sub 2)
  • Divigel
  • Dermestril
  • D-3,17beta-Oestradiol
  • D-3,17beta-Estradiol
  • D-3,17-beta-Oestradiol
  • D-3,17-beta-Estradiol
  • Compudose 365
  • Compudose 200

  • Compudose
  • Climara Pro
  • Climara Forte
  • Climara
  • Climaderm
  • Alora
  • Aerodiol
  • Activella
  • 3,17beta-Dihydroxyoestra-1,3,5-triene
  • 3,17beta-Dihydroxyestra-1,3,5-triene

  • 3,17-beta-Oestradiol
  • 3,17-beta-Estradiol
  • 3,17-beta-Dihydroxyoestra-1,3,5-triene
  • 3,17-beta-Dihydroxyestra-1,3,5(10)-triene
  • 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene
  • 17-beta-Oestra-1,3,5(10)-triene-3,17-diol
  • 17-beta-OH-oestradiol
  • 17-beta-OH-estradiol
  • 17-beta-Estra-1,3,5(10)-triene-3,17-diol
  • 1,3,5-Estratriene-3,17-beta-diol

  • Innofem
  • nchembio794-comp6
  • (17beta)-estra-1(10),2,4-triene-3,17-diol
  • Estrogel (TN)
  • alpha-estradiol (obsolete)
  • Sandrena 1
  • Zesteen
  • Zesteem
  • S-21400
  • nchembio775-comp2

  • Bio-E-Gel
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-
  • Epiestriol 50
  • E 2
  • 3,17beta-Estradiol
  • 3,17beta-Dihydroxyestra-1,3,5(10)-triene
  • (+)-3,17beta-Estradiol
  • EST
  • Oestrogel
  • Gelestra

  • 17-.BETA.-Estradiol
  • Femanest
  • Elestrin
  • Estroclim
  • Estring Vaginal Ring
  • 3,17beta-Dihydroxy-1,3,5(10)-estratriene
  • Estradot
  • 1,3,5-Estratriene-3,17beta-diol
  • Vivelle (TN)
  • Vagifem (TN)

  • Innofem (TN)
  • Estring (TN)
  • Estrasorb (TN)
  • Estradiol (JAN/USP/INN)
  • Estraderm (TN)
  • Estrace (TN)
  • Divigel (TN)
  • D00105
  • Climara (TN)
  • Estraderm TTS 100

  • 73459-61-7
  • 50-28-2
  • 17beta-Oestra-1,3,5(10)-triene-3,17-diol
  • Profoliol B
  • 17beta-Estradiol
  • alpha-Estradiol
  • Syndiol
  • SK-Estrogens
  • Progynon-DH
  • Ovocyclin

  • Ovastevol
  • Ovasterol
  • Progynon DH
  • Ovahormon
  • Oestroglandol
  • Profoliol
  • Primofol
  • Perlatanol

---

Estradiol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of estradiol?
C18H24O2
How many atoms and what are the elements included the estradiol molecule?
44 atom(s) - 24 Hydrogen atom(s), 18 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the estradiol structure?
47 bond(s) - 23 non-H bond(s), 6 multiple 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 secondary alcohol(s)
What’s the estradiol’s molecular weight?
272.38196 g/mol
What’s the SMILES code of estradiol?
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4O
What’s the InChI string of estradiol?
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
What’s the InChIKey code of estradiol?
VOXZDWNPVJITMN-ZBRFXRBCSA-N

967 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).