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BP4 : Summary

Code

BP4

One-letter code

X

Molecule name

biphenyl-4-ylacetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 biphenyl-4-ylacetic acid
OpenEye OEToolkits 1.7.0 2-(4-phenylphenyl)ethanoic acid

Formula

C14 H12 O2

Formal charge

0

Molecular weight

212.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)Cc1ccc(cc1)c2ccccc2
SMILES CACTVS 3.370 OC(=O)Cc1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccc(cc2)CC(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)Cc1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccc(cc2)CC(=O)O

IUPAC InChI

InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

IUPAC InChI key

QRZAKQDHEVVFRX-UHFFFAOYSA-N
BP4

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-08-23

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned