Benzyl cinnamate

C16H14O2CAS 103-41-3238.29 g/mol

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OO
AlkeneEster

Properties

Molecular formula
C16H14O2
Molar mass
238.29 g/mol
Exact mass
238.0994 Da
Density
1.109 g/mL (at 15 °C)
Melting point
39 °C
Boiling point
228–230 °C (at 22 Torr)
logP
3.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
103-41-3
SMILES
O=C(C=Cc1ccccc1)OCc1ccccc1
InChIKey
NGHOLYJTSCBCGC-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2

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Names and synonyms

12 names
  • Benzyl 3-phenylpropenoate
  • 3-Phenyl-2-propenoic acid benzyl ester
  • NSC 11780
  • NSC 44403
  • NCCF 1500
  • NCCF 300
  • NCCF 100
  • NCCF 4000
  • 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
  • Cinnamic acid, benzyl ester
  • Benzyl γ-phenylacrylate
  • Cinnamein

Work with Benzyl 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

Phenethyl cinnamate103-53-774 % similar Ethyl cinnamate103-36-666 % similar Cinnamyl cinnamate122-69-066 % similar Allyl cinnamate1866-31-562 % similar Propyl cinnamate7778-83-862 % similar Isobutyl cinnamate122-67-861 % similar Benzyl 2-propenoate2495-35-460 % similar Butyl cinnamate538-65-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-5 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-9 1,4-Diphenyl-1,4-butanedione495-71-6 4,4'-Diacetylbiphenyl787-69-9 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9 4-Methoxychalcone959-33-1 (1R,4S,4Ar,9as)-rel-1,4,4A,9A-tetrahydro-4A-methyl-1,4-methanoanthracene-9,10-dione97804-50-7

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