chempirical

Phenethyl cinnamate

C17H16O2CAS 103-53-7252.31 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C17H16O2
Molar mass
252.31 g/mol
Exact mass
252.1150 Da
Melting point
54 °C
logP
3.49Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
103-53-7
SMILES
O=C(C=Cc1ccccc1)OCCc1ccccc1
InChIKey
MJQVZIANGRDJBT-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2

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

Names and synonyms

8 names
  • 2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester
  • Cinnamic acid, phenethyl ester
  • Benzylcarbinyl cinnamate
  • β-Phenylethyl cinnamate
  • β-Phenethyl cinnamate
  • 2-Phenylethyl cinnamate
  • NSC 16962
  • 2-Phenylethyl 3-phenyl-2-propenoate

Work with Phenethyl cinnamate

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

Benzyl cinnamate103-41-374 % similar Propyl cinnamate7778-83-869 % similar Isoamyl cinnamate7779-65-968 % similar Caffeic acid phenethyl ester104594-70-968 % similar Butyl cinnamate538-65-866 % similar Amyl cinnamate3487-99-864 % similar Ethyl cinnamate103-36-664 % similar Cinnamyl cinnamate122-69-064 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook