chempirical

(R)-2-Hydroxy-4-phenylbutyric acid

C10H12O3CAS 29678-81-7180.20 g/mol

Open in Covalent MOL file
OHOHO
AlcoholCarboxylic acid

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
115–117 °C
logP
1.06Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
29678-81-7
SMILES
O=C(O)[C@H](O)CCc1ccccc1
InChIKey
JNJCEALGCZSIGB-SECBINFHSA-N
InChI
InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Benzenebutanoic acid, α-hydroxy-, (αR)-
  • Butyric acid, 2-hydroxy-4-phenyl-, D-(-)-
  • Benzenebutanoic acid, α-hydroxy-, (R)-
  • (αR)-α-Hydroxybenzenebutanoic acid
  • D-(-)-Benzyllactic acid
  • (R)-2-Hydroxy-4-phenylbutanoic acid
  • (R)-(-)-2-Hydroxy-4-phenylbutyric acid
  • (2R)-2-Hydroxy-4-phenylbutanoic acid
  • (r)-2-Hydroxy-4-phenylbutyricacid

Work with (R)-2-Hydroxy-4-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

Similar compounds

(-)-3-Phenyllactic acid20312-36-171 % similar (+)-3-Phenyllactic acid7326-19-471 % similar (±)-3-Phenyllactic acid828-01-371 % similar Dl-homophenylalanine1012-05-162 % similar L-Homophenylalanine943-73-762 % similar (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid40371-50-457 % similar (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-057 % similar Benzylmalonic acid616-75-155 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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