2-[4-(4-Hydroxy-3-Isopropylphenoxy)-3,5-Dimethylphenyl]-1,2,4-Triazine-3,5(2H,4H)-Dione

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Properties Simple | Detailed

Formula C20H21N3O4
IUPAC Name 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
Molecular Mass 367.398 g·mol−1
Heat of Formation -448.3 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 430.73 Å 3
Surface Area 377.57 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione
  • 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-quinone
  • 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-2h-[1,2,4]triazine-3,5-dione
  • 2-[4-(4-hydroxy-3-isopropylphenoxy)-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
  • 2-[4-(4-hydroxy-3-propan-2-yl-phenoxy)-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione
  • [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil
InChIKey RXQAVKWRCZYGMV-UHFFFAOYSA-N
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