chempirical

3-(4-(1-Methylethyl)phenyl)-2-propenoic acid

C12H14O2CAS 3368-21-6190.24 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Melting point
165 °C
logP
2.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
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
3368-21-6
SMILES
CC(C)c1ccc(C=CC(=O)O)cc1
InChIKey
SJDOOXOUSJDYFE-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)

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Names and synonyms

8 names
  • 3-[4-(1-Methylethyl)phenyl]-2-propenoic acid
  • 2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-
  • Cinnamic acid, p-isopropyl-
  • p-Isopropylcinnamic acid
  • 4-Isopropylcinnamic acid
  • NSC 216
  • 3-(4-Isopropylphenyl)-2-propenoic acid
  • 3-(4-Isopropylphenyl)acrylic acid

Work with 3-(4-(1-Methylethyl)phenyl)-2-propenoic acid

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

p-Phenylenediacrylic acid16323-43-669 % similar 4-Methylcinnamic acid1866-39-362 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-259 % similar P-Coumaric acid501-98-459 % similar p-Coumaric acid7400-08-059 % similar Cinnamic acid140-10-358 % similar Cinnamic acid621-82-958 % similar 4-Bromocinnamic acid1200-07-357 % 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 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-2 Benzyl tiglate37526-88-8

Elsewhere

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