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 >
2-phenoxyethyl 2-hydroxy benzoate
ScientificNameLabel
2-phenoxyethyl 2-hydroxy benzoate
PHCD compound ID :
532
Chemical Names :
2-phenoxyethyl 2-hydroxy benzoate
Molecular Formula :
C15H14O4
Molecular Weight :
258.089209
More Details :
Names & Synonyms:
Smiles:
O=C(c1ccccc1O)OCCOc1ccccc1
InChi :
InChI=1S/C15H14O4/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChi Key :
InChIKey=TXEJMGOLCZHJRD-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count :
6
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
9.017393
Hydrogen bond donor count :
1
Electric dipole moment :
1.209
XLogP :
2.286
VDW volume :
238.189007
Molecular weight :
258.089209
HOMO-LUMO gap :
8.241000
Herb list :
Roman nettle, Burning nettle - Urtica pilulifera - انجره، گرنه توپی، گزنه رومی
Refrences & Litretures:
32. Journal:'Iranian Journal of Pharmaceutical Research' Year:'2014' Volume:'13' Page:'1173' DOI:'' Title:'Synthesis and Biological Evaluation of Novel Mono Acid Esters Derived from the Constituents of Urtica pilulifera'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us