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CHEBI:31133 - 5-hydroxybisphenol A

ChEBI IDCHEBI:31133
ChEBI Name5-hydroxybisphenol A
Stars
DefinitionA bisphenol (methylenediphenol) having hydroxy functions at C-3, C-4 and C-4', and gem-dimethyl groups on the methylene bridge.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H16O3
Net Charge0
Average Mass244.290
Monoisotopic Mass244.10994
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H16O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16-18H,1-2H3
InChIKeyYGFAMQHMUSBLBC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxybisphenol A (CHEBI:31133) has functional parent bisphenol A (CHEBI:33216)
5-hydroxybisphenol A (CHEBI:31133) is a bisphenol (CHEBI:22901)
IUPAC Name 
4-[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,2-diol
Synonyms  Source
5-HydroxybisphenolKEGG COMPOUND
BPAcatecholKEGG COMPOUND
4-[1-(4-hydroxyphenyl)-1-methylethyl]benzene-1,2-diolIUPAC
5-Hydroxybisphenol AKEGG COMPOUND
BPA catecholChEBI
catechol-BPAChEBI
Manual XrefsDatabases
C13626KEGG COMPOUND
Registry NumbersSources
CAS:79371-66-7KEGG COMPOUND