2-(3,4-Dimethoxyphenyl)-5-Hydroxy-3,6,7,8-Tetramethoxy-4H-Chromen-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22O9
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one
Molecular Mass 418.394 g·mol−1
Heat of Formation -1140.8 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 465.18 Å 3
Surface Area 400.7 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4-chromenone
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromone
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-
  • 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
  • acon1_000728
  • megxp0_001193
CAS Number(s)
  • 1176-88-1
InChIKey JDVPHCLYMGBZLE-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O