6X8

2-iodanylphenol

Created:	2016-07-12
Last modified:	2017-02-15

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1 entries where 6X8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

2D diagram of 6X8

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Chemical Component Summary
Name	2-iodanylphenol
Systematic Name (OpenEye OEToolkits)	2-iodanylphenol
Formula	C₆ H₅ I O
Molecular Weight	220.008
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccccc1I
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)O)I
Canonical SMILES	CACTVS	3.385	Oc1ccccc1I
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)O)I
InChI	InChI	1.03	InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey	InChI	1.03	KQDJTBPASNJQFQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10784
ChEMBL	CHEMBL225564
ChEBI	CHEBI:16706
CCDC/CSD	GAPTIA, CACCIS01, CACBOX, CABXAE

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.