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

ChEBI IDCHEBI:157680
ChEBI Name4,4'-pentane-2,3-diylbis(2-fluorophenol)
Stars
DefinitionA 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.
Last Modified23 October 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H18F2O2
Net Charge0
Average Mass292.325
Monoisotopic Mass292.12749
SMILESCCC(c1ccc(O)c(F)c1)C(C)c1ccc(O)c(F)c1
InChIInChI=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
InChIKeyRDVXUHOSYIBGBT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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]phenolIUPAC