Etalocib

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Properties Simple | Detailed

Formula C33H35FO6
IUPAC Name 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
Molecular Mass 546.626 g·mol−1
Heat of Formation 541.1 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 622.74 Å 3
Surface Area 458.94 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-(3-((5-ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy)propoxy)-2-propylphenoxy)benzoic acid
  • benzoic acid, 2-(3-(3-((5-ethyl-4'-fluoro-2-hydroxy(1,1'-biphenyl)-4-yl)oxy)propoxy)-2-propylphenoxy)-
  • d04074
  • etalocib (usan)
  • ly 293111
  • pdsp1_001237
  • pdsp2_001221
CAS Number(s)
  • 161172-51-6
InChIKey YFIZRWPXUYFCSN-UHFFFAOYSA-N
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