(-)-2-Phenylbutyric acid

C10H12O2CAS 938-79-4164.20 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
2.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
938-79-4
SMILES
CC[C@@H](C(=O)O)c1ccccc1
InChIKey
OFJWFSNDPCAWDK-SECBINFHSA-N
InChI
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 2-Phenylbutyric acid, (R)-
  • Benzeneacetic acid, α-ethyl-, (αR)-
  • Butyric acid, 2-phenyl-, (R)-(-)-
  • Benzeneacetic acid, α-ethyl-, (R)-
  • (αR)-α-Ethylbenzeneacetic acid
  • (R)-(-)-α-Ethylphenylacetic acid
  • (-)-α-Phenylbutyric acid
  • (R)-(-)-2-Phenylbutanoic acid
  • (R)-2-Phenylbutanoic acid
  • (R)-2-Phenylbutyric acid
  • (R)-(-)-2-Phenylbutyric acid
  • (-)-2-Phenylbutanoic acid
  • (R)-α-Ethylbenzeneacetic acid
  • (-)-(R)-2-Phenylbutyric acid
  • (2R)-2-Phenylbutyric acid
  • (2R)-2-Phenylbutanoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Phenylbutyric acid90-27-7Stereo not defined

Similar compounds

Tropic acid529-64-666 % similar (+)-Phenylsuccinic acid4036-30-062 % similar (R)-(-)-Phenylsuccinic acid46292-93-762 % similar Phenylsuccinic acid635-51-862 % similar α-Ethyl-4-nitrobenzeneacetic acid7463-53-859 % similar 1,2-Diphenylbutan-1-one16282-16-959 % similar α-Ethylbenzeneacetyl chloride36854-57-659 % similar 2-Phenylbutanamide90-26-659 % 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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