(2R,3R,4S)-3-(4-Hydroxyphenyl)-4-Methyl-2-{4-[2-(1-Pyrrolidinyl)Ethoxy]Phenyl}-6-Chromanol

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Formula C28H31NO4
IUPAC Name (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
Molecular Mass 445.550 g·mol−1
Heat of Formation -469.0 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 549.4 Å 3
Surface Area 451.71 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
  • (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}chroman-6-ol
  • cm4
InChIKey XPVKGTWRXBSJKO-LHXLBICKSA-N
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