4,5-Dimethyl-2-[(1S,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]Hept-2-Yl]Phenol

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Properties Simple | Detailed

Formula C18H26O
IUPAC Name 4,5-dimethyl-2-[(1s,2r,4r)-1,7,7-trimethylnorbornan-2-yl]phenol
Molecular Mass 258.398 g·mol−1
Heat of Formation -250.1 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 345.54 Å 3
Surface Area 283.69 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (exo)-4,5-dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenol
  • 3,4-xylenol, 6-isobornyl- (8ci)
  • 4,5-dimethyl-2-[(1s,2r,4r)-1,7,7-trimethyl-2-norbornanyl]phenol
  • 4,5-dimethyl-2-[(1s,2r,4r)-1,7,7-trimethylnorbornan-2-yl]phenol
  • 4,5-dimethyl-2-[(1s,4r,6r)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]phenol
  • 6-isobornyl-3,4-xylenol
  • bactacine
  • bracen
  • nanbacine
  • phenol, 4,5-dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-, (exo)-
  • xibornol
  • xibornol (1s,2r,4r) 4,5-dimethyl-2-((1s,2r,4r)-1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl)-phenol
  • xibornol [ban:dcf:inn]
CAS Number(s)
  • 13741-18-9
InChIKey RNRHMQWZFJXKLZ-XUWXXGDYSA-N
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