CHEBI:34581 - Bisphenol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bisphenol B
ChEBI ID CHEBI:34581
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H18O2
Net Charge 0
Average Mass 242.314
Monoisotopic Mass 242.13068
InChI InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3
InChIKey HTVITOHKHWFJKO-UHFFFAOYSA-N
SMILES CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
ChEBI Ontology
Outgoing Bisphenol B (CHEBI:34581) is a bisphenol (CHEBI:22901)
Synonyms Sources
2,2-Bis(4-hydroxyphenyl)butane KEGG COMPOUND
4,4'-(1-Methylpropylidene)bisphenol KEGG COMPOUND
4,4'-Dihydroxy-2,2-diphenylbutane KEGG COMPOUND
Bisphenol B KEGG COMPOUND
Manual Xref Database
C14225 KEGG COMPOUND
View more database links
Registry Number Type Source
77-40-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014