(1S,2S)-1-(3,4-Dimethoxyphenyl)-2-{2-Methoxy-4-[(1E)-1-Propen-1-Yl]Phenoxy}-1-Propanol

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Properties Simple | Detailed

Formula C21H26O5
IUPAC Name (1s,2s)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(e)-prop-1-enyl]phenoxy]propan-1-ol
Molecular Mass 358.428 g·mol−1
Heat of Formation -618.1 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 444.14 Å 3
Surface Area 392.56 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(e)-prop-1-enyl]phenoxy]propan-1-ol
  • benzenemethanol, 3,4-dimethoxy-alpha-((1s)-1-(2-methoxy-4-(1e)-1-propenylphenoxy)ethyl)-, (alphas)-
CAS Number(s)
  • 68143-83-9
InChIKey NUDWCJJMQATDKB-NPNYKPOCSA-N
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