1-(2-{4-[(3S,4S)-7-Methoxy-2,2-Dimethyl-3-Phenyl-3,4-Dihydro-2H-Chromen-4-Yl]Phenoxy}Ethyl)Pyrrolidine

Molecule SVG Image

Properties Simple | Detailed

Formula C30H35NO3
IUPAC Name 1-[2-[4-[(3s,4s)-7-methoxy-2,2-dimethyl-3-phenyl-chroman-4-yl]phenoxy]ethyl]pyrrolidine
Molecular Mass 457.604 g·mol−1
Heat of Formation 825.5 ± 16.7 kJ·mol−1
Dipole Moment 34.18 ± 1.08 D
Volume 564.51 Å 3
Surface Area 470.55 Å 2
HOMO Energy -4.57 ± 0.55 eV
LUMO Energy -2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (- )-1-(2-(p-(trans-7-methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy)ethyl)pyrrolidine
  • 1-[2-[4-[(3s,4s)-7-methoxy-2,2-dimethyl-3-phenyl-4-chromanyl]phenoxy]ethyl]pyrrolidine
  • 1-[2-[4-[(3s,4s)-7-methoxy-2,2-dimethyl-3-phenyl-chroman-4-yl]phenoxy]ethyl]pyrrolidine
  • 1-[2-[4-[(3s,4s)-7-methoxy-2,2-dimethyl-3-phenylchroman-4-yl]phenoxy]ethyl]pyrrolidine
  • ormeloxifene
  • pyrrolidine, 1-(2-(4-((3s,4s)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)ethyl)-
CAS Number(s)
  • 78994-25-9
  • 78994-24-8
InChIKey XZEUAXYWNKYKPL-URLMMPGGSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N