(4R)-2-Allyl-4-[(1E)-1-(4-Hydroxy-3-Methoxyphenyl)-1-Propen-2-Yl]-4,5-Dimethoxy-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C21H24O5
IUPAC Name (4r)-2-allyl-4-[(e)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-vinyl]-4,5-dimethoxy-cyclohexa-2,5-dien-1-one
Molecular Mass 356.412 g·mol−1
Heat of Formation -534.4 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 446.7 Å 3
Surface Area 371.41 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2-allyl-4-[(e)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-vinyl]-4,5-dimethoxy-cyclohexa-2,5-dien-1-one
  • (4r)-2-allyl-4-[(e)-2-(4-hydroxy-3-methoxyphenyl)-1-methylvinyl]-4,5-dimethoxy-1-cyclohexa-2,5-dienone
  • (4r)-4-[(e)-1-(4-hydroxy-3-methoxy-phenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enyl-cyclohexa-2,5-dien-1-one
  • (4r)-4-[(e)-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
InChIKey JSWLJDNWLQCBNE-PAGBRTJLSA-N
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