chempirical

4-Isopropylbenzoic acid

C10H12O2CAS 536-66-3164.20 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
117.5 °C
logP
2.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
536-66-3
SMILES
CC(C)c1ccc(C(=O)O)cc1
InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

10 names
  • Benzoic acid, 4-(1-methylethyl)-
  • Benzoic acid, p-isopropyl-
  • 4-(1-Methylethyl)benzoic acid
  • Cumic acid
  • Cuminic acid
  • p-Isopropylbenzoic acid
  • NSC 1907
  • NSC 20083
  • 4-(Propan-2-yl)benzoic acid
  • Cumate

Work with 4-Isopropylbenzoic 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

1-[4-(1-Methylethyl)phenyl]ethanone645-13-657 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-256 % similar 4-(1-Methylethoxy)benzoic acid13205-46-455 % similar 4-Cyclohexylbenzoic acid20029-52-155 % similar 4-Isobutylbenzoic acid38861-88-055 % similar 4-Acetylbenzoic acid586-89-053 % similar 4,4′-Oxybis[benzoic acid]2215-89-652 % similar 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-452 % 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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