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: 39
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Alpha-fenchol
ScientificNameLabel
Alpha-fenchol
PHCD compound ID :
4375
Chemical Names :
Alpha-fenchol
Molecular Formula :
C10H18O1
Molecular Weight :
154.135765
More Details :
Names & Synonyms:
(2S)-1,3,3-trimethylnorbornan-2-ol , (3S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanol , (3S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
Smiles:
O[C@H]1[C@]2(C)CC[C@H](C1(C)C)C2
InChi :
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChi Key :
InChIKey=IAIHUHQCLTYTSF-QXFUBDJGSA-N
PubChem ID :
57293050
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.130773
Hydrogen bond donor count :
1
Electric dipole moment :
1.624
XLogP :
2.312
VDW volume :
165.593614
Molecular weight :
154.135765
HOMO-LUMO gap :
13.201000
Herb list :
Cow-parsnip - Heracleum persicum - گلپر
Lesser galangal - Alpinia officinarum - خولنجان
Refrences & Litretures:
649. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'296' DOI:'10.1080/10412905.2004.9698725' Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'
790. Journal:'Journal of Essential Oil Research' Year:'2010' Volume:'22' Page:'521' DOI:'10.1080/10412905.2010.9700388' Title:'GC and GC/MS Analysis of the Volatile Constituents of the Oils of Alpinia galanga (L.) Willd and A. officinarum Hance Rhizomes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us