chempirical

4-(1-Methylethyl)benzeneacetic acid

C11H14O2CAS 4476-28-2178.23 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Melting point
38–40 °C
Boiling point
170–174 °C (at 14 Torr)
logP
2.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
4476-28-2
SMILES
CC(C)c1ccc(CC(=O)O)cc1
InChIKey
RERBQXVRXYCGLT-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

Weigh it out

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

Names and synonyms

7 names
  • Benzeneacetic acid, 4-(1-methylethyl)-
  • p-Cymene-7-carboxylic acid
  • p-Isopropylphenylacetic acid
  • 2-(4-Isopropylphenyl)acetic acid
  • 4-(Propan-2-yl)phenylacetic acid
  • 2-(4-Propan-2-ylphenyl)acetic acid
  • 2-[4-(Propan-2-yl)phenyl]acetic acid

Work with 4-(1-Methylethyl)benzeneacetic 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-Benzenediacetic acid7325-46-467 % similar P-Tolylacetic acid622-47-959 % similar 4-Hydroxyphenylacetic acid156-38-756 % similar Phenylacetic acid103-82-255 % similar 4-(Bromomethyl)phenylacetic acid13737-36-555 % similar 4-Iodophenylacetic acid1798-06-755 % similar (4-Chlorophenyl)acetic acid1878-66-655 % similar 4-Bromophenylacetic acid1878-68-855 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook