(4R,6S)-6-[(E)-2-(4'-Fluoro-3,3',5-Trimethyl-2-Biphenylyl)Vinyl]-4-Hydroxytetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C22H23FO3
IUPAC Name (4r,6s)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 354.415 g·mol−1
Heat of Formation -634.4 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 437.95 Å 3
Surface Area 368.31 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6s)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethenyl]-4-hydroxy-oxan-2-one
  • (4r,6s)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6s)-6-[(e)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
  • (4r,6s)-6-[(e)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]vinyl]-4-hydroxy-2-tetrahydropyranone
  • 2h-pyran-2-one, 6-((1e)-2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4r,6s)-rel-
  • 2h-pyran-2-one, 6-(2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4alpha,6beta(e))-(+-)-
  • 2h-pyran-2-one, 6-(2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4r,6s)-
  • 2h-pyran-2-one, 6-(2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4r-(4alpha,6beta(e)))-
  • 2h-pyran-2-one, 6-[(e)-2-(4'-fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)ethenyl]tetrahydro-4-hydroxy-, (4r,6s)-
  • l 645164
  • l-645164
CAS Number(s)
  • 110267-50-0
  • 85551-06-0
  • 85493-98-7
  • 103064-20-6
InChIKey BNIBDNOALUGLCI-PJHKVULZSA-N
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