chempirical

3-(4-Methylphenyl)propionic acid

C10H12O2CAS 1505-50-6164.20 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
117–118 °C
logP
2.01Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
1505-50-6
SMILES
Cc1ccc(CCC(=O)O)cc1
InChIKey
LDYGRLNSOKABMM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

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

Names and synonyms

10 names
  • Benzenepropanoic acid, 4-methyl-
  • Hydrocinnamic acid, p-methyl-
  • 4-Methylbenzenepropanoic acid
  • 4-Methyl-β-phenylpropionic acid
  • p-Methylhydrocinnamic acid
  • 3-(4-Methylphenyl)propanoic acid
  • 3-p-Tolylpropionic acid
  • 4-Methylbenzenepropionic acid
  • NSC 512
  • 3-p-Tolylpropanoic acid

Work with 3-(4-Methylphenyl)propionic 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

4-Methylbenzenebutanoic acid4521-22-679 % similar 1,4-Benzenedipropanoic acid4251-21-276 % similar P-Tolylacetic acid622-47-969 % similar Phloretic acid501-97-363 % similar 3-(4-Bromophenyl)propionic acid1643-30-761 % similar 3-(4-Aminophenyl)propionic acid2393-17-161 % similar 3-(4-Fluorophenyl)propionic acid459-31-461 % similar Dihydrocaffeic acid1078-61-161 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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