4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-Hydroxy-1-Propen-1-Yl]-7-Methoxy-2,3-Dihydro-1-Benzofuran-2-Yl}-2-Methoxyphenol

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Properties Simple | Detailed

Formula C20H22O6
IUPAC Name 4-[(2s,3r)-3-(hydroxymethyl)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
Molecular Mass 358.385 g·mol−1
Heat of Formation -793.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 420.88 Å 3
Surface Area 373.32 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,3r)-3-(hydroxymethyl)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol
  • 4-[(2s,3r)-3-(hydroxymethyl)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
  • 4-[(2s,3r)-3-(hydroxymethyl)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
  • 4-[(2s,3r)-3-(hydroxymethyl)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol
  • 4-[(2s,3r)-5-[(e)-3-hydroxyprop-1-enyl]-7-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
InChIKey KUSXBOZNRPQEON-LNFBDUAVSA-N
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