General
Preferred name
o-Acetylphenol
Synonyms
o-Hydroxyacetophenone ()
2-Acetylphenol ()
O-Hydroxyphenyl Methyl Ketone ()
2'-Hydroxyacetophenone ()
P&D ID
PD087971
CAS
118-93-4
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 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.
PRICE 29
DESCRIPTION 2'-Hydroxyacetophenone (o-Hydroxyacetophenone) is a phenolic compound used in the synthesis of potential anti-myobacterial and anticancer agents. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
37418
MedChem Express Bioactive Compound Library
HY-Y1426
Selleckchem Bioactive Compound Library
hydroxyacetophenone
TargetMol Bioactive Compound Library
TCS1856
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
136.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.59
TPSA
37.3
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
CYP19A1
Drug intermediate
Source data