Structure & Deep Data of Eugenol (C10H12O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The eugenol molecule contains a total of 24 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic). Images of the chemical structure of eugenol are given below:

The 2D chemical structure image of eugenol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of eugenol 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 eugenol 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 eugenol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Eugenol Molecule

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

  The SMILES string of eugenol is COc1cc(CC=C)ccc1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the eugenol.

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

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

• Chemical formula of eugenol

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

• Molecular weight of eugenol

  The molecular weight of eugenol is available in molecular weight page of eugenol, 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 eugenol

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

  • BBV-75779596
  • AR-1J0704
  • EOL
  • Walgreens Natural Eugenol/toothache Medication With Cotton Pellets and Tweezers
  • Eugenol, pharmaceutical secondary standard; traceability to USP and PhEur
  • Eugenol, United States Pharmacopeia (USP) Reference Standard
  • 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol
  • Eugenol, European Pharmacopoeia (EP) Reference Standard
  • BRD-K32977963-001-01-9
  • SR-05000002043-2

  • Q-201105
  • I01-8770
  • I01-7260
  • Eugenol, certified reference material, TraceCERT(R)
  • Eugenol, primary pharmaceutical reference standard
  • D04117
  • Orajel Naturals Fast Relief for Teething Pain
  • N1805
  • A0232
  • Eugenol, PESTANAL(R), analytical standard

  • SBI-0051381.P003
  • K753
  • Eugenol, Vetec(TM) reagent grade, 98%
  • 1-hydroxy-2-methoxy-4-propenylbenze ne
  • SDCCGMLS-0066578.P001
  • RTR-038621
  • 3-(3-methoxy-4-hydroxyphenyl)propene
  • Eugenol, tested according to Ph.Eur.
  • 4 -allyl-1-hydroxy-2-methoxybenzene
  • CCG-38827

  • BDBM50164168
  • ANW-40868
  • 1-hydroxy-4-allyl-2-methoxybenzene
  • Pharmakon1600-01500296
  • HMS2091F09
  • HMS1920O08
  • Eugenol, >=98%, FCC, FG
  • 3T8H1794QW
  • Eugenol, natural, >=98%, FG
  • 4-(2-Propenyl)-2-methoxyphenol

  • Eugenol, ReagentPlus(R), 99%
  • HMS502C14
  • HMDB05809
  • GTPL2425
  • SPECTRUM1500296
  • Bio-0581
  • BIDD:ER0696
  • Eugenol, 99% 100g
  • Eugenol Toothache Medication
  • Eugenol, puriss., 98%

  • Epitope ID:114091
  • bmse010053
  • 4-allyl-2-methoxy-Phenol
  • 3s0e
  • 4-allyl-2methoxyphenol
  • Red Cross Toothache
  • Caryophyllic ac id
  • 4-Allylguaicol
  • Zonalin Liquid
  • Eugenol Special

  • Dentek Eugenol
  • Eugenolum
  • dentogum
  • bioxeda
  • CAS-97-53-0
  • 2-Methoxy-4-[2-propenyl]phenol
  • 4-Allyl-1-Hydroxy-2-Methoxy Benzene
  • MFCD00008654
  • Eugenol (USP)
  • 2-Methoxy-4-(3-propenyl)phenol

  • Phenol, 2-methoxy-4-(2-propen-1-yl)-
  • EPA Pesticide Chemical Code 102701
  • 2-Metoksy-4-allilofenol [Polish]
  • Eugenol [USP]
  • FA 100
  • 1-allyl-4-hydroxy-3-methoxybenzene
  • 2-Metoksy-4-allilofenol
  • FEMA Number 2467
  • Caswell No. 456BC
  • 4-Allylcatechol 2-methyl ether

  • FEMA No. 2467
  • 1-Allyl-3-methoxy-4-hydroxybenzene
  • Eugenol [USAN]
  • 2-Methoxy-4-(2-propen-1-yl)phenol
  • Phenol, 4-allyl-2-methoxy-
  • 4-Hydroxy-3-methoxyallylbenzene
  • 2-Hydroxy-5-allylanisole
  • 4-Hydroxy-3-methoxy-1-allylbenzene
  • Eugenol (natural)
  • 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene

  • 5-Allylguaiacol
  • Phenol, 2-methoxy-4-(2-propenyl)-
  • 4-Allyl-1-hydroxy-2-methoxybenzene
  • 2-Methoxy-1-hydroxy-4-allylbenzene
  • 1-Hydroxy-2-methoxy-4-allylbenzene
  • Synthetic eugenol
  • 2-Methoxy-4-(2-propenyl)phenol
  • 4-Allylcatechol-2-methyl ether
  • 1,3,4-Eugenol
  • Engenol

  • 2-Methoxy-4-allylphenol
  • 2-Methoxy-4-prop-2-enylphenol
  • p-Eugenol
  • p-Allylguaiacol
  • Caryophyllic acid
  • Allylguaiacol
  • Eugenic acid
  • 4-Allylguaiacol
  • 4-Allyl-2-methoxyphenol
  • 97-53-0

  • eugenol

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Eugenol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of eugenol?
C10H12O2
How many atoms and what are the elements included the eugenol molecule?
24 atom(s) - 12 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the eugenol structure?
24 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic)
What’s the eugenol’s molecular weight?
164.20108 g/mol
What’s the SMILES code of eugenol?
COc1cc(CC=C)ccc1O
What’s the InChI string of eugenol?
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
What’s the InChIKey code of eugenol?
RRAFCDWBNXTKKO-UHFFFAOYSA-N

7740 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).