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: 50
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Benzene(2-methoxyethyl)
ScientificNameLabel
Benzene(2-methoxyethyl)
PHCD compound ID :
1627
Chemical Names :
Benzene(2-methoxyethyl)
Molecular Formula :
C9H12O1
Molecular Weight :
136.088815
More Details :
Names & Synonyms:
2-methoxyethylbenzene
Smiles:
COCCc1ccccc1
InChi :
InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChi Key :
InChIKey=CQLYXIUHVFRXLT-UHFFFAOYSA-N
PubChem ID :
19089
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.364273
Hydrogen bond donor count :
0
Electric dipole moment :
1.647
XLogP :
1.692
VDW volume :
141.844712
Molecular weight :
136.088815
HOMO-LUMO gap :
9.761000
Herb list :
Egyptian willow - Salix aegyptiaca - بيدمشك
Refrences & Litretures:
183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us