3-[2-(1,3-Benzodioxol-5-Yl)Ethyl]-5-Methoxyphenol

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Properties Simple | Detailed

Formula C16H16O4
IUPAC Name 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-phenol
Molecular Mass 272.296 g·mol−1
Heat of Formation -483.5 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 326.36 Å 3
Surface Area 271.67 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-benzo[1,3]dioxol-5-yl-ethyl)-5-methoxy-phenol
  • 5-[2'-(3''-hydroxy-5''-methoxyphenyl)-ethyl]-1,3-benzodioxole
  • densiflorol a
  • phenol, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-
InChIKey WXLWYVQONUUBMT-UHFFFAOYSA-N
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