5,7-Dihydroxy-6-[(2E)-4-Hydroxy-3-Methyl-2-Buten-1-Yl]-3-(4-Hydroxyphenyl)-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H18O6
IUPAC Name 5,7-dihydroxy-6-[(e)-4-hydroxy-3-methyl-but-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 354.353 g·mol−1
Heat of Formation -837.8 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 397.9 Å 3
Surface Area 353.38 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7,4'-trihydroxy-6-[3-(hydroxymethyl)but-2-enyl]isoflavone
  • 5,7-dihydroxy-6-(4-hydroxy-3-methyl-but-2-enyl)-3-(4-hydroxyphenyl)chromen-4-one
  • 5,7-dihydroxy-6-(4-hydroxy-3-methyl-but-2-enyl)-3-(4-hydroxyphenyl)chromone
  • 5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-enyl)-3-(4-hydroxyphenyl)-4-chromenone
  • 5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-enyl)-3-(4-hydroxyphenyl)chromen-4-one
  • 5,7-dihydroxy-6-[(e)-4-hydroxy-3-methyl-but-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
  • 5,7-dihydroxy-6-[(e)-4-hydroxy-3-methyl-but-2-enyl]-3-(4-hydroxyphenyl)chromone
  • 5,7-dihydroxy-6-[(e)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)-4-chromenone
  • 5,7-dihydroxy-6-[(e)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
InChIKey AROTXIUFXQZGLT-BIIKFXOESA-N
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