5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-6,8-Dimethyl-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C18H16O5
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-chromen-4-one
Molecular Mass 312.317 g·mol−1
Heat of Formation -671.9 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 354.74 Å 3
Surface Area 316.66 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4-chromenone
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4h-1-benzopyran-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-chromone
CAS Number(s)
  • 3122-87-0
InChIKey QJSQOGJCHBXLAH-UHFFFAOYSA-N
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