chempirical

Phenyl cinnamate

C15H12O2CAS 2757-04-2224.26 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C15H12O2
Molar mass
224.26 g/mol
Exact mass
224.0837 Da
logP
3.31Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
2757-04-2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2
InChIKey
NBFNGRDFKUJVIN-VAWYXSNFSA-N
InChI
InChI=1S/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

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Names and synonyms

13 names · show all
  • Phenyl (E)-3-phenylprop-2-enoate
  • Phenyl (E)-cinnamate
  • Phenyl (E)-3-phenylacrylate
  • Phenyl (2E)-3-phenylprop-2-enoate
  • (E)-3-Phenyl-acrylic acid phenyl ester
  • Cinnamic acid, phenyl ester
  • trans-Cinnamic acid phenyl ester
  • Phenyl (2E)-3-phenyl-2-propenoate
  • Zimtsaure-phenylester
  • Phenyl(E)-3-phenylacrylate
  • 2-Propenoic acid, 3-phenyl-, phenyl ester, (E)-
  • (E)-Cinnamic acid phenyl ester
  • trans-3-Phenyl-prop-2-enoic acid phenyl ester

Work with Phenyl 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

Methyl cinnamate103-26-463 % similar Ethyl cinnamate103-36-657 % similar Benzyl cinnamate103-41-357 % similar Cinnamyl cinnamate122-69-057 % similar Isopropyl cinnamate7780-06-557 % similar Phenethyl cinnamate103-53-756 % similar Allyl cinnamate1866-31-554 % similar Propyl cinnamate7778-83-854 % similar

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

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 (±)-Flavanone487-26-3 Chalcone epoxide5411-12-1 Fluorene-9-acetic acid6284-80-6

Elsewhere

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