General
Preferred name
ISOPROPYL 4-HYDROXYBENZOATE
Synonyms
Isopropylparaben ()
P&D ID
PD159028
CAS
4191-73-5
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 Isopropyl 4-hydroxybenzoate (Isopropylparaben) is an antimicrobial and antioxidant agent[1].
PRICE 29
DESCRIPTION Isopropyl 4-hydroxybenzoate inhibits carbonic anhydrases. (Enamine Bioactive Compounds)
DESCRIPTION Isopropylparaben is a preservative and preservative insecticide. (TargetMol Bioactive Compound Library)
Compound Sets
3
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
180.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.96
TPSA
46.53
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Pathway
Anti-infection
Source data