1,1'-(2,2'-Dihydroxy-4,4',6,6'-Tetramethoxy-5,5'-Dimethyl-3,3'-Biphenyldiyl)Diethanone

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Properties Simple | Detailed

Formula C22H26O8
IUPAC Name 1-[3-(3-acetyl-2-hydroxy-4,6-dimethoxy-5-methyl-phenyl)-2-hydroxy-4,6-dimethoxy-5-methyl-phenyl]ethanone
Molecular Mass 418.437 g·mol−1
Heat of Formation -1279.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 484.83 Å 3
Surface Area 385.14 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(3-acetyl-2-hydroxy-4,6-dimethoxy-5-methylphenyl)-2-hydroxy-4,6-dimethoxy-5-methylphenyl]ethanone
  • 1-[3-(3-ethanoyl-2-hydroxy-4,6-dimethoxy-5-methyl-phenyl)-2-hydroxy-4,6-dimethoxy-5-methyl-phenyl]ethanone
  • contortin
  • ethanone, 1,1'-(2,2'-dihydroxy-4,4',6,6'-tetramethoxy-5,5'-dimethyl(1,1'-biphenyl)-3,3'-diyl)bis-
CAS Number(s)
  • 91925-83-6
InChIKey PDJMCBVRNSWEOY-UHFFFAOYSA-N
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