W0I

4-fluoro-5-hexyl-2-phenoxyphenol

Created:	2014-10-27
Last modified:	2015-03-04

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1 entries where W0I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of W0I

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Chemical Component Summary
Name	4-fluoro-5-hexyl-2-phenoxyphenol
Systematic Name (OpenEye OEToolkits)	4-fluoranyl-5-hexyl-2-phenoxy-phenol
Formula	C₁₈ H₂₁ F O₂
Molecular Weight	288.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc2cc(Oc1ccccc1)c(O)cc2CCCCCC
SMILES	CACTVS	3.385	CCCCCCc1cc(O)c(Oc2ccccc2)cc1F
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1cc(c(cc1F)Oc2ccccc2)O
Canonical SMILES	CACTVS	3.385	CCCCCCc1cc(O)c(Oc2ccccc2)cc1F
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1cc(c(cc1F)Oc2ccccc2)O
InChI	InChI	1.03	InChI=1S/C18H21FO2/c1-2-3-4-6-9-14-12-17(20)18(13-16(14)19)21-15-10-7-5-8-11-15/h5,7-8,10-13,20H,2-4,6,9H2,1H3
InChIKey	InChI	1.03	GYPLPHKUBOKVOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90657081

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.