1-(4-Hydroxy-3-Methoxyphenyl)-7-Phenyl-3-Heptanone

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Properties Simple | Detailed

Formula C20H24O3
IUPAC Name 1-(4-hydroxy-3-methoxy-phenyl)-7-phenyl-heptan-3-one
Molecular Mass 312.403 g·mol−1
Heat of Formation -422.1 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 401.21 Å 3
Surface Area 376.31 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
  • 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
  • 3-heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
  • yakuchinone-a
CAS Number(s)
  • 78954-23-1
InChIKey TXELARZTKDBEKS-UHFFFAOYSA-N
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