chempirical

4-Methylcinnamic acid

C10H10O2CAS 1866-39-3162.19 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
198–199 °C
logP
2.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1866-39-3
SMILES
Cc1ccc(C=CC(=O)O)cc1
InChIKey
RURHILYUWQEGOS-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)

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Names and synonyms

9 names
  • 2-Propenoic acid, 3-(4-methylphenyl)-
  • Cinnamic acid, p-methyl-
  • 3-(4-Methylphenyl)-2-propenoic acid
  • p-Methylcinnamic acid
  • 3-(p-Tolyl)acrylic acid
  • 3-(4-Methylphenyl)propenoic acid
  • 3-(4-Tolyl)acrylic acid
  • NSC 66272
  • 3-(4-Methylphenyl)acrylic acid

Work with 4-Methylcinnamic 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 acid16323-43-677 % similar 3-(3-Methylphenyl)-2-propenoic acid3029-79-665 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-265 % similar P-Coumaric acid501-98-465 % similar P-Coumaric acid7400-08-065 % similar Cinnamic acid140-10-363 % similar Cinnamic acid621-82-963 % similar 4-Bromocinnamic acid1200-07-363 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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