2CH

2-CHLOROPHENOL

Created:	2004-11-04
Last modified:	2011-06-04

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4 entries where 2CH 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

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Chemical Component Summary
Name	2-CHLOROPHENOL
Systematic Name (OpenEye OEToolkits)	2-chlorophenol
Formula	C₆ H₅ Cl O
Molecular Weight	128.556
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccccc1O
SMILES	CACTVS	3.341	Oc1ccccc1Cl
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)O)Cl
Canonical SMILES	CACTVS	3.341	Oc1ccccc1Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)O)Cl
InChI	InChI	1.03	InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey	InChI	1.03	ISPYQTSUDJAMAB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03110
Name	2-Chlorophenol
Groups	experimental
Synonyms	2-chloro-1-hydroxybenzene 2-Chlorophenol o-chlorophenol
Categories	Benzene Derivatives Chlorobenzenes Phenols
CAS number	95-57-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 14	MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682