CHEBI:28974 - (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
ChEBI ID CHEBI:28974
ChEBI ASCII Name (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Definition A cyclohexenediol that has cis hydroxy groups at C-1 and C-2, double bonds at C-3 and C-5, and a 4-chlorophenyl substituent at C-3, the configurations at C-1 and C-2 being S and R respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10463, CHEBI:23278
Supplier Information
Download Molfile XML SDF
Formula C12H11ClO2
Net Charge 0
Average Mass 222.66724
Monoisotopic Mass 222.04476
InChI InChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,11-12,14-15H/t11-,12+/m0/s1
InChIKey AUTJOUWLKSMLFP-NWDGAFQWSA-N
SMILES O[C@H]1C=CC=C([C@H]1O)c1ccc(Cl)cc1
ChEBI Ontology
Outgoing (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) has functional parent (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol (CHEBI:32922)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) has functional parent 4'-chlorobiphenyl-2,3-diol (CHEBI:28979)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) is a cyclohexadienediol (CHEBI:23469)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) is a organochlorine compound (CHEBI:36683)
IUPAC Name
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Synonym Source
cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl KEGG COMPOUND
Manual Xrefs Databases
c0178 UM-BBD
C06585 KEGG COMPOUND
View more database links
Registry Number Type Source
119386-12-8 CAS Registry Number UM-BBD
Last Modified
07 April 2020