General Information of the Compound
Compound ID
CP0041681
Compound Name
Benoquin
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Synonyms
4-(Benzyl-Oxy)Phenol
4-(Benzyloxy)phenol
4-(Benzyloxyl)phenol
4-(Phenylmethoxy)phenol
4-Benzyloxyphenol
4-benzyloxy phenol
4-phenylmethoxy-phenol
4-phenylmethoxyphenol
Agerite
Agerite alba
Alba
Alba-Dome
Benoquin
Benoquin (TN)
Benoquin, Monobenzone
Benzoquin
Benzyl hydroquinone
Benzyl p-hydroxyphenyl ether
Carmifal
Carmifal(TN)
Depigman
Depigman (TN)
Dermochinona
Dermochinona (TN)
HYDROQUINONE MONOBENZYL ETHER, N F
Hydrochinon monobenzylether
Hydrochinon monobenzylether [Czech]
Hydroquinone benzyl ether
Hydroquinone monobenzyl ether
ICN brand of monobenzone
Leucodinine
Leucodinine (TN)
Monobenzon
Monobenzon (TN)
Monobenzona
Monobenzona [INN-Spanish]
Monobenzone
Monobenzone (USP/INN)
Monobenzone [INN]
Monobenzonum
Monobenzonum [INN-Latin]
Monobenzyl Ether of Hydroquinone
Monobenzyl ether hydroquinone
Monobenzyl hydroquinone
Novo-depigman
P-(BENZYLOXY)PHENOL
P-BENZYLOXYPHENOL
P-Hydroxyphenyl benzyl ether
PBP
Pigmex
Pigmex (TN)
Superlite
Superlite (TN)
Superlite (antioxidant)
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Structure
Formula
C13H12O2
Molecular Weight
200.237
Canonical SMILES
Oc1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
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InChIKey
VYQNWZOUAUKGHI-UHFFFAOYSA-N
CAS
103-16-2
Physicochemical Property
logP
2.9712
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 7638
SID: 15114599
ChEMBL ID
CHEMBL1388
DrugBank ID
DB00600
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00901, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3726 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Monobenzone )
Drug Name Monobenzone
Indication
Vitiligo
Approved
Target(s)
Tyrosinase (TYR)
 Target Info 
Inhibitor