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: 31
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
o-Hydroxycumine
ScientificNameLabel
o-Hydroxycumine
PHCD compound ID :
374
Chemical Names :
o-Hydroxycumine
Molecular Formula :
C9H12O1
Molecular Weight :
136.088815
More Details :
Names & Synonyms:
2-isopropylphenol , 2-propan-2-ylphenol
Smiles:
CC(c1ccccc1O)C
InChi :
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChi Key :
InChIKey=CRBJBYGJVIBWIY-UHFFFAOYSA-N
PubChem ID :
6943
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.016392
Hydrogen bond donor count :
1
Electric dipole moment :
0.716
XLogP :
2.095
VDW volume :
141.844712
Molecular weight :
136.088815
HOMO-LUMO gap :
9.184000
Herb list :
Eucalyptus, River red gum - Eucalyptus camaldulensis - اكاليپتوس
Refrences & Litretures:
22. Journal:'Z Lebensm Unters Forsch A' Year:'1999' Volume:'208' Page:'212' DOI:'' Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us