EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:27929 - 2,5-dichlorophenol

ChEBI IDCHEBI:27929
ChEBI Name2,5-dichlorophenol
Stars
DefinitionA dichlorophenol with the chloro substituents at positions 2 and 5.
Secondary ChEBI IDsCHEBI:933, CHEBI:19377
Last Modified23 October 2015
DownloadsMolfile
FormulaC6H4Cl2O
Net Charge0
Average Mass163.003
Monoisotopic Mass161.96392
SMILESOc1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKeyRANCECPPZPIPNO-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
2,5-dichlorophenol (CHEBI:27929) has role human xenobiotic metabolite (CHEBI:76967)
2,5-dichlorophenol (CHEBI:27929) is a dichlorophenol (CHEBI:23702)
IUPAC Name 
2,5-dichlorophenol
Synonyms  Source
2,5-DichlorophenolKEGG COMPOUND
2,5-DCPKEGG COMPOUND
Manual XrefsDatabases
C06602KEGG COMPOUND
c0545UM-BBD
25-DICHLOROPHENOLMetaCyc
HMDB0041800HMDB
Registry NumbersSources
Reaxys:1907692Reaxys
CAS:583-78-8KEGG COMPOUND
CAS:583-78-8ChemIDplus
CAS:583-78-8NIST Chemistry WebBook
Citations