(4Z)-2-Hydroxy-5-Methoxy-4-[(2E)-3-Phenyl-2-Propen-1-Ylidene]-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C16H14O3
IUPAC Name (4z)-2-hydroxy-5-methoxy-4-[(e)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 254.281 g·mol−1
Heat of Formation -171.1 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 308.26 Å 3
Surface Area 289.37 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (4z)-2-hydroxy-5-methoxy-4-[(e)-3-phenylprop-2-enylidene]-1-cyclohexa-2,5-dienone
  • (4z)-2-hydroxy-5-methoxy-4-[(e)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
  • 2,5-cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-
  • 2,5-cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-, (e,e)-
  • obtusaquinone
CAS Number(s)
  • 62745-67-9
InChIKey LUZUAYAKZLCOCQ-GKPGWJKISA-N
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