chempirical

Acetylisoeugenol

C12H14O3CAS 93-29-8206.24 g/mol

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OOO
AlkeneEsterEther

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Melting point
790 °C
logP
2.65Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
93-29-8
SMILES
CC=Cc1ccc(OC(C)=O)c(OC)c1
InChIKey
IUSBVFZKQJGVEP-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Isoeugenol, acetate
  • Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate
  • Phenol, 2-methoxy-4-propenyl-, acetate
  • Phenol, 2-methoxy-4-(1-propenyl)-, acetate
  • 4-Acetoxy-3-methoxy-1-propenylbenzene
  • Isoeugenyl acetate
  • 2-Methoxy-4-propenylphenyl acetate
  • O-Acetylisoeugenol
  • NSC 46121

Work with Acetylisoeugenol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetovanillin881-68-572 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-670 % similar Methylisoeugenol93-16-366 % similar Acetyleugenol93-28-754 % similar Isoeugenol97-54-151 % similar 4-Acetoxy-3,5-dimethoxybenzaldehyde53669-33-351 % similar Benzyl isoeugenol120-11-650 % similar 3,4-Dimethoxycinnamic acid14737-89-450 % 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 (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 Ethyl methylphenylglycidate77-83-8

Elsewhere

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