General
Preferred name
Dihydrojasmone
Synonyms
P&D ID
PD088153
CAS
1128-08-1
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 Dihydrojasmone, a constituent of bergamot oil, is an important perfume ingredient[1].
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
166.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
3.25
TPSA
17.07
Fraction CSP3
0.73
Chiral centers
0.0
Largest ring
5.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data