(2S)-8-(2,2-Dimethylpropyl)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H22O5
IUPAC Name (2s)-8-(2,2-dimethylpropyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Molecular Mass 342.386 g·mol−1
Heat of Formation -818.9 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 407.11 Å 3
Surface Area 337.67 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-neopentyl-chroman-4-one
  • (2s)-8-(2,2-dimethylpropyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • (2s)-8-(2,2-dimethylpropyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
InChIKey SBFJMGDUIWYKMQ-KRWDZBQOSA-N
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