para-coumaric acid

Ligand id: 5787

Name: para-coumaric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 164.05
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Synonyms
hydroxycinnamic acid | p-coumaric acid
Database Links
CAS Registry No. 501-98-4
ChEBI CHEBI:32374
ChEMBL Ligand CHEMBL66879
PubChem CID 637542
RCSB PDB Ligand HC4
Search Google for chemical match using the InChIKey NGSWKAQJJWESNS-ZZXKWVIFSA-N
Search Google for chemicals with the same backbone NGSWKAQJJWESNS
Search UniChem for chemical match using the InChIKey NGSWKAQJJWESNS-ZZXKWVIFSA-N
Search UniChem for chemicals with the same backbone NGSWKAQJJWESNS
Wikipedia P-Coumaric acid