2-(1,1′-Biphenyl-4-Yl)Propanoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 3.38 ALOGPS
logS -3.9 ALOGPS
Water Solubility 2.85e-02 g/l ALOGPS
logP 3.8 ChemAxon
IUPAC Name (2S)-2-(4-phenylphenyl)propanoic acid ChemAxon
Traditional IUPAC Name (2S)-2-(4-phenylphenyl)propanoic acid ChemAxon
Molecular Weight 226.2705 ChemAxon
Monoisotopic Weight 226.099379692 ChemAxon
SMILES [H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C15H14O2 ChemAxon
InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1 ChemAxon
InChIKey InChIKey=JALUUBQFLPUJMY-NSHDSACASA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 67.08 ChemAxon
Polarizability 25.22 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 4.71 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prostaglandin G/H synthase 1 : in Human