chempirical

Methyl eugenol

C11H14O2CAS 93-15-2178.23 g/mol

Open in Covalent MOL file
OO
AlkeneEther

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Density
1.0396 g/mL (at 20 °C)
Melting point
−4 °C
Boiling point
254.7 °C
logP
2.43Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
93-15-2
SMILES
C=CCc1ccc(OC)c(OC)c1
InChIKey
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

28 names · show all
  • 1,2-Dimethoxy-4-(2-propen-1-yl)benzene
  • Ent 21040
  • 4-Allylveratrole
  • 1,2-Dimethoxy-4-allylbenzene
  • Eugenol methyl ether
  • 1,3,4-Eugenol methyl ether
  • Eugenyl methyl ether
  • Veratrole methyl ether
  • Methyleugenol
  • Methyl eugenol ether
  • O-Methyleugenol
  • 3,4-Dimethoxyallylbenzene
  • 1-(3,4-Dimethoxyphenyl)-2-propene
  • Chavibetol methyl ether
  • 4-Allyl-1,2-dimethoxybenzene
  • 3-(3,4-Dimethoxyphenyl)propene
  • 1-Allyl-3,4-dimethoxybenzene
  • Methyl eugenyl ether
  • Methylchavibetol
  • NSC 209528
  • NSC 8900
  • 1,2-Dimethoxy-4-(2-propenyl)benzene
  • 3,4-Dimethoxy-1-(2-propenyl)benzene
  • 3-(3,4-Dimethoxyphenyl)-1-propene
  • Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
  • Benzene, 4-allyl-1,2-dimethoxy-
  • Benzene, 1,2-dimethoxy-4-(2-propenyl)-
  • Veratrole, 4-allyl-

Work with Methyl eugenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Eugenol97-53-071 % similar Acetyleugenol93-28-768 % similar Elemicin487-11-666 % similar Methoxyeugenol6627-88-962 % similar Safrole94-59-761 % similar Estragole140-67-059 % similar Myristicin607-91-057 % similar Veratrylamine5763-61-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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