1-{2-Hydroxy-3-Propyl-4-[4-(1H-Tetrazol-5-Yl)Butoxy]Phenyl}Ethanone

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Properties Simple | Detailed

Formula C16H22N4O3
IUPAC Name 1-[2-hydroxy-3-propyl-4-[4-(2h-tetrazol-5-yl)butoxy]phenyl]ethanone
Molecular Mass 318.371 g·mol−1
Heat of Formation -251.4 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 396.63 Å 3
Surface Area 359.81 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxy-3-propyl-4-(4-(1h-tetrazol-5-yl)butoxy)phenyl)ethanone
  • 1-(2-hydroxy-3-propyl-4-{[4-(1h-tetrazol-5-yl)butyl]oxy}phenyl)ethanone
  • 1-[2-hydroxy-3-propyl-4-[4-(2h-1,2,3,4-tetrazol-5-yl)butoxy]phenyl]ethanone
  • 2'-hydroxy-3'-propyl-4'-(4-(1h-tetrazol-5-yl)butoxy)acetophenone
  • 5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-1h-tetrazole
  • acetophenone, 2'-hydroxy-3'-propyl-4-(4-(1h-tetrazol-5-yl)butoxy)-
  • bio1_000198
  • bio1_000687
  • bio1_001176
  • bio2_000122
  • bio2_000602
  • cbiol_001912
  • compound ly171883
  • d02851
  • ethanone, 1-(2-hydroxy-3-propyl-4-(4-(1h-tetrazol-5-yl)butoxy)phenyl)-
  • ly 171883
  • ly-171,883
  • ly-171883
  • ly171883
  • tomelukast
  • tomelukast (usan)
CAS Number(s)
  • 88107-10-2
InChIKey MWYHLEQJTQJHSS-UHFFFAOYSA-N
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