Avarol

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
Molecular Mass 314.462 g·mol−1
Heat of Formation -427.8 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 408.3 Å 3
Surface Area 312.39 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha,2beta,4abeta,8abeta))-2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-1,4-benzenediol
  • 1,4-benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1r-(1-alpha,2-beta,4a-beta,8a-alpha))-
  • 1,4-benzenediol,2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1r-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
  • 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
  • 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]hydroquinone
CAS Number(s)
  • 55303-98-5
InChIKey JSPUCPNQXKTYRO-LWILDLIXSA-N
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