5-[3-(Benzyloxy)Benzyl]Pyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C18H16N2O3++
IUPAC Name 5-[(3-benzyloxyphenyl)methyl]pyrimidine-2,4-dione
Molecular Mass 308.331 g·mol−1
Heat of Formation -291.2 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 364.89 Å 3
Surface Area 332.75 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)-
  • 5-(3'-benzyloxy)benzyluracil
  • 5-[3-(benzyloxy)benzyl]uracil
  • 5-[[3-(phenylmethoxy)phenyl]methyl]-1h-pyrimidine-2,4-dione
  • 5-benzyloxybenzyluracil
CAS Number(s)
  • 28495-80-9
  • 110522-13-9
InChIKey ZJQDPXONNQFKKC-UHFFFAOYSA-N
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