chempirical

Cinnamyl cinnamate

C18H16O2CAS 122-69-0264.32 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C18H16O2
Molar mass
264.32 g/mol
Exact mass
264.1150 Da
Melting point
44 °C
Boiling point
370 °C
logP
3.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
122-69-0
SMILES
O=C(C=Cc1ccccc1)OCC=Cc1ccccc1
InChIKey
NQBWNECTZUOWID-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propen-1-yl ester
  • Cinnamic acid, cinnamyl ester
  • Styracin
  • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, cinnamate
  • Phenylallyl cinnamate
  • NSC 46161

Work with Cinnamyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Allyl cinnamate1866-31-571 % similar Ethyl cinnamate103-36-666 % similar Benzyl cinnamate103-41-366 % similar Phenethyl cinnamate103-53-764 % similar Propyl cinnamate7778-83-862 % similar Cinnamyl acetate103-54-861 % similar Isobutyl cinnamate122-67-861 % similar Butyl cinnamate538-65-859 % similar

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

Same formula

2-tert-Butylanthraquinone84-47-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook