General
Preferred name
Phenyl benzoate
Synonyms
P&D ID
PD159008
CAS
93-99-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Phenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid. Phenyl benzoate is a chloride transport blocker, inhibits Cl--dependent Glu accumulation into vesicles. Phenyl benzoate can be used as preservative in cosmetic products[1][2].
PRICE 29
DESCRIPTION Phenyl benzoate, a benzoate ester, is obtained by the formal condensation of phenol with benzoic acid. It serves as an important intermediate in organic synthesis. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W009823
TargetMol Bioactive Compound Library
T5651
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
198.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
2.91
TPSA
26.3
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Chloride channel
Pathway
Membrane Transporter/Ion Channel
Source data