1-(2-Hydroxy-3-Propyl-4-{[4-(2H-Tetrazol-5-Ylmethyl)Phenoxy]Methyl}Phenyl)Ethanone

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Properties Simple | Detailed

Formula C20H22N4O3
IUPAC Name 1-[2-hydroxy-3-propyl-4-[[4-(2h-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
Molecular Mass 366.414 g·mol−1
Heat of Formation -123.5 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 439.55 Å 3
Surface Area 391.99 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxy-3-propyl-4-((4-(1h-tetrazol-5-ylmethyl)phenoxy)methyl)phenyl)ethanone
  • 1-[2-hydroxy-3-propyl-4-[[4-(2h-1,2,3,4-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
  • ethanone, 1-(2-hydroxy-3-propyl-4-((4-(1h-tetrazol-5-ylmethyl)phenoxy)methyl)phenyl)-
  • ly 163443
  • ly-163443
CAS Number(s)
  • 97581-70-9
InChIKey OKLGLROKXFUYEI-UHFFFAOYSA-N
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