3-[2,4-Dihydroxy-5-(2-Methyl-3-Buten-2-Yl)Phenyl]-5,7-Dihydroxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H18O6
IUPAC Name 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chromen-4-one
Molecular Mass 354.353 g·mol−1
Heat of Formation -823.5 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 402.52 Å 3
Surface Area 351.28 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-chromen-4-one
  • 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chromen-4-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chromone
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-4-chromenone
  • 4h-1-benzopyran-4-one, 3-(5-(1,1-dimethyl-2-propenyl)-2,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 5'-(alpha,alpha-dimethylallyl)-5,7,2',4'-tetrahydroxyisoflavone
  • fremontin
CAS Number(s)
  • 124166-27-4
InChIKey XWUWFNSZQDCXCD-UHFFFAOYSA-N
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