EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28979 - 4'-chlorobiphenyl-2,3-diol

Default Structure
ChEBI IDCHEBI:28979
ChEBI Name4'-chlorobiphenyl-2,3-diol
Stars
DefinitionA member of the class of hydroxybiphenyls that is catechol in which the hydrogen at position 3 is replaced by a p-chlorophenyl group.
Secondary ChEBI IDsCHEBI:883, CHEBI:19317
Last Modified23 October 2014
DownloadsMolfile
FormulaC12H9ClO2
Net Charge0
Average Mass220.655
Monoisotopic Mass220.02911
SMILESOc1cccc(-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C12H9ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,14-15H
InChIKeyDVSRTUCUOATCJD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) has functional parent 4-chlorobiphenyl (CHEBI:27757)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) has functional parent biphenyl-2,3-diol (CHEBI:16205)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) is a catechols (CHEBI:33566)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) is a diol (CHEBI:23824)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) is a hydroxybiphenyls (CHEBI:24681)
4'-chlorobiphenyl-2,3-diol (CHEBI:28979) is a monochlorobenzenes (CHEBI:83403)
Incoming Relation(s)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) has functional parent 4'-chlorobiphenyl-2,3-diol (CHEBI:28979)
IUPAC Name 
4'-chloro-[1,1'-biphenyl]-2,3-diol
Synonym  Source
2,3-Dihydroxy-4'-chlorobiphenylKEGG COMPOUND
Manual XrefsDatabases
c0179UM-BBD
C06586KEGG COMPOUND
Registry NumbersSources
Beilstein:8410406Beilstein
CAS:119386-13-9UM-BBD