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CHEBI:190399 - 4,4'-dichlorobenzhydrol

ChEBI IDCHEBI:190399
ChEBI Name4,4'-dichlorobenzhydrol
Stars
DefinitionA secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. It is a metabolite of the insecticide DDT.
Last Modified23 March 2022
SubmitterAdnan
DownloadsMolfile
FormulaC13H10Cl2O
Net Charge0
Average Mass253.128
Monoisotopic Mass252.01087
SMILESOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKeyPHUYGURFBULKPA-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4,4'-dichlorobenzhydrol (CHEBI:190399) has functional parent diphenylmethanol (CHEBI:156087)
4,4'-dichlorobenzhydrol (CHEBI:190399) has role bacterial xenobiotic metabolite (CHEBI:76976)
4,4'-dichlorobenzhydrol (CHEBI:190399) is a benzyl alcohols (CHEBI:22743)
4,4'-dichlorobenzhydrol (CHEBI:190399) is a monochlorobenzenes (CHEBI:83403)
4,4'-dichlorobenzhydrol (CHEBI:190399) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
bis(4-chlorophenyl)methanol
Synonyms  Source
p,p'-dichlorobenzhydrolChemIDplus
4-chloro-α-(4-chlorophenyl)benzenemethanolChemIDplus
4,4'-dichloro-α-phenylbenzylic alcoholChemIDplus
bis(p-chlorophenyl)methanolNIST Chemistry WebBook
4,4'-dichlorodiphenylcarbinolChEBI
4,4'-dichlorobenzhydryl alcoholChEBI
Manual XrefsDatabases
6766ChemSpider
Registry NumbersSources
Reaxys:1878717Reaxys
CAS:90-97-1ChemIDplus
CAS:90-97-1NIST Chemistry WebBook
Citations