IOL

4-IODOPHENOL

Created:	2000-04-28
Last modified:	2011-06-04

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3 entries where IOL is found as a standalone ligand1 entries where IOL is covalently linked to polymer or other heterogen groups

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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 IOL

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Chemical Component Summary
Name	4-IODOPHENOL
Systematic Name (OpenEye OEToolkits)	4-iodophenol
Formula	C₆ H₅ I O
Molecular Weight	220.008
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccc(O)cc1
SMILES	CACTVS	3.341	Oc1ccc(I)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1O)I
Canonical SMILES	CACTVS	3.341	Oc1ccc(I)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1O)I
InChI	InChI	1.03	InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey	InChI	1.03	VSMDINRNYYEDRN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03002
Name	p-Iodophenol
Groups	experimental
Synonyms	4-iodophenol p-Iodophenol
Categories	Benzene Derivatives Hydrocarbons, Halogenated Hydrocarbons, Iodinated
CAS number	540-38-5

Related Resource References

Resource Name	Reference
PubChem	10894
ChEMBL	CHEMBL56475
ChEBI	CHEBI:43521
CCDC/CSD	WOMGOV, PUHYID, JELVII, CEPMUI, CEPNAP, PUHXAU, IXUDEM02, QQQBNJ01, IXUYAD, IXUDIQ02, IXUXOQ, IXUXUW, IXUYEH, ULUZIM, IXUVUU, IXUYIL, IXUWAB, CAMPIP, APUJON
COD	4508673

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