3,3'-[(4-Methoxyphenyl)Methylene]Bis(2-Hydroxy-6-Isopropyl-2,4,6-Cycloheptatrien-1-One)

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Properties Simple | Detailed

Formula C28H30O5
IUPAC Name 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
Molecular Mass 446.535 g·mol−1
Heat of Formation -520.5 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 550.46 Å 3
Surface Area 454.13 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 3,3'-((4-methoxyphenyl)methylene)bis(2-hydroxy-6-(1-methylethyl)-
  • 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-keto-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • alpha,alpha-bis(2-hydroxy-6-isopropyltropon-3-yl)-4-methoxytoluene
  • jci 3661
CAS Number(s)
  • 92832-17-2
InChIKey KJBKAXSFVVQFNC-UHFFFAOYSA-N
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