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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21O8+
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-chromen-4-one
Molecular Mass 389.376 g·mol−1
Heat of Formation -989.3 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 435.88 Å 3
Surface Area 382.18 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4-chromenone
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-chromone
  • 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-
  • 5-demethylnobiletin
  • 5-o-demethylnobiletin
  • demethylnobiletin
CAS Number(s)
  • 2174-59-6
InChIKey DOFJNFPSMUCECH-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O