thymol

Ligand id: 2499

Name: thymol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 150.1
XLogP 3.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
5-methyl-2-propan-2-ylphenol
Database Links
BindingDB Ligand 50240432
CAS Registry No. 89-83-8 (source: DrugBank)
ChEBI CHEBI:27607
ChEMBL Ligand CHEMBL29411
DrugBank Ligand DB02513
Human Metabolome Database HMDB01878
PubChem CID 6989
RCSB PDB Ligand IPB
Search Google for chemical match using the InChIKey MGSRCZKZVOBKFT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MGSRCZKZVOBKFT
Wikipedia Thymol