CHEBI:157680 - 4,4'-pentane-2,3-diylbis(2-fluorophenol)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4'-pentane-2,3-diylbis(2-fluorophenol)
ChEBI ID CHEBI:157680
Definition A polyphenol that is 4,4'-(ethane-1,2-diyl)diphenol substituted by fluoro groups at positions 2 and 2', a methyl group at position 2 and an ethyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H18F2O2
Net Charge 0
Average Mass 292.326
Monoisotopic Mass 292.12749
InChI InChI=1S/C17H18F2O2/c1-3-13(12-5-7-17(21)15(19)9-12)10(2)11-4-6-16(20)14(18)8-11/h4-10,13,20-21H,3H2,1-2H3
InChIKey RDVXUHOSYIBGBT-UHFFFAOYSA-N
SMILES CCC(C(C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1
ChEBI Ontology
Outgoing 4,4'-pentane-2,3-diylbis(2-fluorophenol) (CHEBI:157680) is a monofluorobenzenes (CHEBI:83575)
4,4'-pentane-2,3-diylbis(2-fluorophenol) (CHEBI:157680) is a phenylpropanoid (CHEBI:26004)
4,4'-pentane-2,3-diylbis(2-fluorophenol) (CHEBI:157680) is a polyphenol (CHEBI:26195)
Incoming (2R,3S)-bifluranol (CHEBI:157679) is a 4,4'-pentane-2,3-diylbis(2-fluorophenol) (CHEBI:157680)
(2S,3R)-bifluranol (CHEBI:157678) is a 4,4'-pentane-2,3-diylbis(2-fluorophenol) (CHEBI:157680)
IUPAC Name
4,4'-pentane-2,3-diylbis(2-fluorophenol)
Synonym Source
2-fluoro-4-[3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol IUPAC
Last Modified
23 October 2020
General Comment
2020-10-23 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (bifluranol) and its individual enantiomers (2R,3S)- and (2S,3R)-bifluranol.