2-Phenylbutyric acid
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.066 g/mL (at 26 °C)
- Melting point
- 47.5 °C
- Boiling point
- 271 °C
- logP
- 2.26Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
90-27-7SMILES
CCC(C(=O)O)c1ccccc1InChIKey
OFJWFSNDPCAWDK-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzeneacetic acid, α-ethyl-
- Butyric acid, 2-phenyl-
- α-Ethylbenzeneacetic acid
- α-Ethyl-α-toluic acid
- α-Phenylbutyric acid
- 2-Phenylbutanoic acid
- α-Ethylphenylacetic acid
- (±)-α-Phenylbutyric acid
- (±)-2-Phenylbutyric acid
- (±)-α-Ethylphenylacetic acid
- (±)-2-Phenylbutanoic acid
- (RS)-2-Phenylbutanoic acid
- NSC 1860
Work with 2-Phenylbutyric 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(-)-2-Phenylbutyric acid938-79-4100 % similar
Tropic acid529-64-666 % similar
(+)-Phenylsuccinic acid4036-30-062 % similar
α-Ethyl-4-nitrobenzeneacetic acid7463-53-859 % similar
α-Ethylbenzeneacetyl chloride36854-57-659 % similar
2-Phenylbutanamide90-26-659 % similar
Indobufen63610-08-256 % similar
Phenylmalonic acid2613-89-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds