chempirical

Ethyl 3-(4-methylphenyl)-2-propenoate

C12H14O2CAS 20511-20-0190.24 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Boiling point
142 °C (at 1 Torr)
logP
2.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
20511-20-0
SMILES
CCOC(=O)C=Cc1ccc(C)cc1
InChIKey
IMKVSWPEZCELRM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3

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Names and synonyms

8 names
  • 2-Propenoic acid, 3-(4-methylphenyl)-, ethyl ester
  • Cinnamic acid, p-methyl-, ethyl ester
  • Ethyl p-methylcinnamate
  • 4-Methylcinnamic acid ethyl ester
  • Ethyl 4-methylcinnamate
  • NSC 338436
  • Ethyl 3-(p-tolyl)acrylate
  • Ethyl 3-(4-methylphenyl)propenoate

Work with Ethyl 3-(4-methylphenyl)-2-propenoate

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

Ethyl cinnamate103-36-671 % similar Ethyl 3-(4-fluorophenyl)acrylate352-03-470 % similar Ethyl 3-(4-aminophenyl)-2-propenoate5048-82-870 % similar Ethyl methoxycinnamate24393-56-468 % similar Ethyl 4-bromomethylcinnamate60682-98-667 % similar Methyl (2E)-3-(4-methylphenyl)-2-propenoate20754-20-564 % similar Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-462 % similar Ethyl caffeate102-37-461 % 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 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-2 3-(4-(1-Methylethyl)phenyl)-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

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