chempirical

Acetyleugenol

C12H14O3CAS 93-28-7206.24 g/mol

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OOO
AlkeneEsterEther

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Density
1.0806 g/mL (at 20 °C)
Melting point
30.5 °C
Boiling point
281 °C
logP
2.35Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
93-28-7
SMILES
C=CCc1ccc(OC(C)=O)c(OC)c1
InChIKey
SCCDQYPEOIRVGX-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/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

12 names
  • Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate
  • Phenol, 4-allyl-2-methoxy-, acetate
  • Eugenol acetate
  • Phenol, 2-methoxy-4-(2-propenyl)-, acetate
  • Aceteugenol
  • Eugenyl acetate
  • 4-Allyl-2-methoxyphenyl acetate
  • O-Acetyleugenol
  • NSC 1242
  • 2-Methoxy-4-(2-propenyl)phenol acetate
  • (2-Methoxy-4-prop-2-enylphenyl) acetate
  • 2-Methoxy-4-(prop-2-en-1-yl)phenyl acetate

Work with Acetyleugenol

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

Methyl eugenol93-15-268 % similar Acetovanillin881-68-556 % similar Acetylisoeugenol93-29-854 % similar Elemicin487-11-650 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-649 % similar Methoxyeugenol6627-88-948 % similar (3,4-Dimethoxyphenyl)acetone776-99-847 % similar Safrole94-59-747 % similar

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

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl (E)-4-methoxycinnamate24393-56-4 4-(P-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-7 Ethyl α-acetylbenzeneacetate5413-05-8 Ethyl α-oxobenzenebutanoate64920-29-2

Elsewhere

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