Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
p-Hydroxybenzyl alcohol
ScientificNameLabel
p-Hydroxybenzyl alcohol
PHCD compound ID :
4662
Chemical Names :
p-Hydroxybenzyl alcohol
Molecular Formula :
C7H8O2
Molecular Weight :
124.052429
More Details :
Names & Synonyms:
4-(hydroxymethyl)phenol , 4-methylolphenol
Smiles:
OCc1ccc(cc1)O
InChi :
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChi Key :
InChIKey=BVJSUAQZOZWCKN-UHFFFAOYSA-N
PubChem ID :
125
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.220959
Hydrogen bond donor count :
2
Electric dipole moment :
1.033
XLogP :
-0.121
VDW volume :
116.04297
Molecular weight :
124.052429
HOMO-LUMO gap :
9.126000
Herb list :
Vanilla - Vanilla fragrans - وانیل
Refrences & Litretures:
739. Journal:'J Sci Food Agric' Year:'2000' Volume:'80' Page:'289' DOI:'10.1002/1097-0010' Title:'Vanilla flavour: production by conventional and biotechnological routes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us