General
Preferred name
BBP
Synonyms
BENZYLBUTYLPHTHALATE ()
Benzyl butyl phthalate ()
Butyl benzyl phthalate ()
1,2-benzenedicarboxylic acid ()
butyl phenylmethyl ester ()
P&D ID
PD002547
CAS
85-68-7
58128-78-2
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
312.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
4.0
TPSA
52.6
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
Aryl hydrocarbon receptor
Source data
