chempirical

Isopropyl cinnamate

C12H14O2CAS 7780-06-5190.24 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Density
1.032 g/mL (at 20 °C)
Melting point
39 °C
Boiling point
153–155 °C (at 20 Torr)
logP
2.65Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
7780-06-5
SMILES
CC(C)OC(=O)C=Cc1ccccc1
InChIKey
RGACABDFLVLVCT-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3

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

Names and synonyms

3 names
  • 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester
  • Cinnamic acid, isopropyl ester
  • iso-Propyl cinnamate

Work with Isopropyl 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 cinnamate103-26-462 % similar Isobutyl cinnamate122-67-861 % similar Isoamyl cinnamate7779-65-957 % similar Ethyl cinnamate103-36-657 % similar Phenethyl cinnamate103-53-755 % similar Propyl cinnamate7778-83-854 % similar Benzyl cinnamate103-41-353 % similar Cinnamyl cinnamate122-69-053 % similar

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

Same formula

Cinnamyl propionate103-56-0 1-(4-Methoxyphenyl)-1-penten-3-one104-27-8 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-1 4-Vinylbenzyl glycidyl ether113538-80-0 1-Methyl-7-methoxy-2-tetralone1204-23-5 Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-0 3-[4-(1-Methylethyl)phenyl]-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

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