General
Preferred name
p-Ethylphenol, 4-Hydroxyphenylethane
Synonyms
4-Ethylphenol ()
P&D ID
PD099484
CAS
344345-97-7
123-07-9
29471-88-3
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 4-Ethylphenol is a volatile phenolic compound associated with off-odour in wine. 4-Ethylphenol is a phenolic compound that can be synthesized by intestinal flora. 4-Ethylphenol will be converted to 4-ethylphenyl sulfate (HY-W674241) by Lactobacillus plantarum[1][2].
PRICE 29
DESCRIPTION Inhibits protein disulfide isomerase family A, member 2 (PDIA2), IC50 = 20 µM. (Enamine Bioactive Compounds)
DESCRIPTION 4-Ethylphenol is the volatile phenol associated with the aroma in wine. (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
EBC-152138
MedChem Express Bioactive Compound Library
HY-W012836
Selleckchem Bioactive Compound Library
4-ethylphenol
TargetMol Bioactive Compound Library
T5883
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
122.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.95
TPSA
20.23
Fraction CSP3
0.25
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
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data