General
Preferred name
BENZYL ALCOHOL
Synonyms
Phenylcarbinol ()
Benzenemethanol ()
Phenylmethanol ()
Benzoyl alcohol ()
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol ()
FEMA NO. 2137 ()
INS NO.1519 ()
Alcohol benzylicus ()
NSC-8044 ()
E1519 ()
Ulesfia ()
Alcohol,benzyl ()
E-1519 ()
INS-1519 ()
P&D ID
PD001116
CAS
100-51-6
Tags
natural product
drug
available
Approved by
FDA
First approval
2009
Drug Status
approved
Drug indication
Pharmaceutic Aid (antimicrobial agent)
Head and body lice
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY 1250 mg/kg (rat, oral) LD50; 400 mg/kg IPR-RAT LD50 ; 2000 mg/kg SKN-RBT LD50; 53 mg/kg IVN-RAT LD50; 2500 mg/kg ORL-GPG LD50
Compound Sets
17
ChEMBL Approved Drugs
CHEMBL720
ChEMBL Drugs
CHEMBL720
Drug Repurposing Hub
DrugBank
DB06770
DrugBank Approved Drugs
DB06770
DrugCentral
334
DrugCentral Approved Drugs
334
DrugMAP
DMBVYDI
DrugMAP Approved Drugs
DMBVYDI
DrugMatrix
MedChem Express Bioactive Compound Library
HY-B0892
NCATS Inxight Approved Drugs
LKG8494WBH
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
benzyl-alcohol
TargetMol Bioactive Compound Library
T0732
The Spectrum Collection
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
108.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.18
TPSA
20.23
Fraction CSP3
0.14
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
Metabolism
Metabolic Enzyme/Protease
Target
ALDH
Endogenous Metabolite
Indication
virus herpes simplex (HSV)
MOA
local anesthetic
Source data