(2S)-2-[4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-8,8-Dimethyl-2,3-Dihydro-4H,8H-Pyrano[2,3-F]Chromen-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H26O4
IUPAC Name (2s)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Molecular Mass 390.472 g·mol−1
Heat of Formation -544.2 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 484.34 Å 3
Surface Area 378.31 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CAS Number(s)
  • 157414-03-4
InChIKey NEIURIYDQMKXIG-QHCPKHFHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O