4-[(1E)-1-{4-[2-(Dimethylamino)Ethoxy]Phenyl}-2-Phenyl-1-Buten-1-Yl]-3-Methylphenol

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Properties Simple | Detailed

Formula C27H31NO2
IUPAC Name 4-[(e)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-but-1-enyl]-3-methyl-phenol
Molecular Mass 401.541 g·mol−1
Heat of Formation -118.7 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 528.2 Å 3
Surface Area 433.46 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-4-hydroxytamoxifen
  • 4-[(e)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]-3-methyl-phenol
  • 4-[(e)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl]-3-methylphenol
  • phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-3-methyl-, (e)-
CAS Number(s)
  • 96474-35-0
InChIKey NZWWUPVYFHRGOL-IMVLJIQESA-N
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