dibutyl phthalate

Ligand id: 6295

Name: dibutyl phthalate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 52.6
Molecular weight 278.15
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
dibutyl benzene-1,2-dicarboxylate
Synonyms
di-n-butyl phthalate | n-butyl phthalate | nutyl phthalate
Database Links
CAS Registry No. 84-74-2 (source: SciFinder)
ChEMBL Ligand CHEMBL272485
GtoPdb PubChem SID 178102915
PubChem CID 3026
RCSB PDB Ligand DB7
Search Google for chemical match using the InChIKey DOIRQSBPFJWKBE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DOIRQSBPFJWKBE
Search UniChem for chemical match using the InChIKey DOIRQSBPFJWKBE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DOIRQSBPFJWKBE
Wikipedia Dibutyl phthalate