(2R,3R,4S)-5-Fluoro-3-(4-Hydroxyphenyl)-4-Methyl-2-[4-(2-Piperidin-1-Ylethoxy)Phenyl]Chroman-6-Ol

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Properties Simple | Detailed

Formula C29H32FNO4
IUPAC Name (2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]chroman-6-ol
Molecular Mass 477.567 g·mol−1
Heat of Formation -670.3 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 574.18 Å 3
Surface Area 468.18 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • cm3
InChIKey KOYRLVBQHJNLQX-IFVHXUSFSA-N
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Elements H C N O F