Rofecoxib

Molecule SVG Image

Properties Simple | Detailed

Formula C17H14O4S
IUPAC Name 3-(4-methylsulfonylphenyl)-4-phenyl-2h-furan-5-one
Molecular Mass 314.356 g·mol−1
Heat of Formation -394.8 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 354.79 Å 3
Surface Area 306.21 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2(5h)-furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-
  • 2(5h)-furanone, 4-[4-(methyl-sulfonyl)phenyl]-3-phenyl-
  • 3-phenyl-4-(4-(methylsulfonyl)phenyl))-2(5h)-furanone
  • 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5h)-furanone
  • 4-(4-(methylsulfonyl)phenyl)-3-phenyl-2(5h)-furanone
  • 4-(4-mesylphenyl)-3-phenyl-5h-furan-2-one
  • 4-(4-methylsulfonylphenyl)-3-phenyl-5h-furan-2-one
  • 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5h)-furanone
  • 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5h)-one
  • ceoxx
  • cmap_000024
  • d00568
  • ks-1107
  • ls-70511
  • mk 0966
  • mk 0996
  • mk 966
  • mk 996
  • mk-0966
  • mk-966
  • mk0966
  • rofecoxib (jan/usan/inn)
  • vioxx
  • vioxx (trademark)
CAS Number(s)
  • 186912-82-3
  • 162011-90-7
InChIKey RZJQGNCSTQAWON-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O