General
Preferred name
Hydrocinnamic alcohol
Synonyms
HYDROCINNAMYL ALCOHOL ()
P&D ID
PD065272
CAS
1335-12-2
93842-54-7
122-97-4
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)
PRICE 29
DESCRIPTION Hydrocinnamic alcohol (3-Phenyl-1-Propanol) exists in storax and fern balsam, also present in Vaccinium species fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. It is a flavoring ingredient.
Compound Sets
1
Other bioactive compounds
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
136.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.61
TPSA
20.23
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data