4CH

4-chlorophenol

Created: 2009-01-13
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count6
2D diagram of 4CH
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Chemical Component Summary

Name4-chlorophenol
Systematic Name (OpenEye OEToolkits)4-chlorophenol
FormulaC6 H5 Cl O
Molecular Weight128.556
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc1ccc(O)cc1
SMILESCACTVS3.341Oc1ccc(Cl)cc1
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1O)Cl
Canonical SMILESCACTVS3.341 Oc1ccc(Cl)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1O)Cl
InChIInChI1.03 InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyInChI1.03 WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB13154 
NameParachlorophenol
Groups approved
DescriptionP-chlorophenol is a white crystals with a strong phenol odor. Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible.
Synonyms
  • Parachlorophenol
  • p-Chlorophenol
  • 4-Chlorophenol
  • 4-chlorphenol
Brand Names
  • Cresophene Liq
  • Camphorated Para Chlorophenol Liq
IndicationUsed as an intermediate in organic synthesis of dyes and drugs. Local antibacterial agent in root canal therapy, as topical antiseptic in ointments
Categories
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Benzene Derivatives
  • Chlorobenzenes
  • Drugs that are Mainly Renally Excreted
CAS number106-48-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Sodium channel protein type 4 subunit alphaMARPSLCTLVPLGPECLRPFTRESLAAIEQRAVEEEARLQRNKQMEIEEP...unknown
Solute carrier organic anion transporter family member 1B3MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKI...unknownsubstrate
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

Related Resource References

Resource NameReference
PubChem 4684
ChEMBL CHEMBL57053
ChEBI CHEBI:28078
CCDC/CSD SUFFOO, BNQCLP01, BNQDCP02, CEPZUV, UZOXOX, CLPHOL12, SARLEC, AYEPUR, CEQBAE, HIBGII, CLPHOL13, HIFTIA, NEVMEH, ULUZOS, CLPHOL14, CIMMOD, ISEKIA, APUJIH
COD 2100150, 2100151, 2100152