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: 40
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Benzofuran,4,7-dimethyl
ScientificNameLabel
Benzofuran,4,7-dimethyl
PHCD compound ID :
1858
Chemical Names :
Benzofuran,4,7-dimethyl
Molecular Formula :
C10H10O1
Molecular Weight :
146.073165
More Details :
Names & Synonyms:
4,7-dimethylbenzofuran , 4,7-dimethyl-1-benzofuran
Smiles:
Cc1ccc(c2c1occ2)C
InChi :
InChI=1S/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6H,1-2H3
InChi Key :
InChIKey=PFXVPEGRXODMIQ-UHFFFAOYSA-N
PubChem ID :
33109
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.741956
Hydrogen bond donor count :
0
Electric dipole moment :
0.455
XLogP :
1.886
VDW volume :
133.247779
Molecular weight :
146.073165
HOMO-LUMO gap :
8.622000
Herb list :
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Refrences & Litretures:
219. Journal:'Intl J Agri Crop Sci' Year:'2013' Volume:'5' Page:'1946' DOI:'' Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us