General
Preferred name
Piceol
Synonyms
4-Acetylphenol ()
4'-Hydroxyacetophenone ()
p-Acetylphenol ()
4-HYDROXYACETOPHENONE ()
P-hydroxyacetophenone ()
1-(4-Hydroxyphenyl)Ethanone ()
Para-Hydroxyacetophenone ()
P&D ID
PD065279
CAS
99-93-4
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
5
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
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)
Pathway
Metabolism
Anti-infection
Target
Xanthine oxidase
HBV
Source data