4,4'-[(1E,3S)-3-(Hydroxymethyl)-1-Butene-1,4-Diyl]Bis(2-Methoxyphenol)

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Properties Simple | Detailed

Formula C19H22O5
IUPAC Name 4-[(e,2s)-4-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)but-3-enyl]-2-methoxy-phenol
Molecular Mass 330.375 g·mol−1
Heat of Formation -677.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 408.2 Å 3
Surface Area 340.65 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e,2s)-4-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)but-3-enyl]-2-methoxy-phenol
  • 4-[(e,2s)-4-(4-hydroxy-3-methoxy-phenyl)-2-methylol-but-3-enyl]-2-methoxy-phenol
  • 4-[(e,2s)-4-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)but-3-enyl]-2-methoxyphenol
InChIKey RCQPYMXHGRTMOZ-NHZBNJEXSA-N
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