4-[(3R,4S)-4-(4-Hydroxyphenyl)-3-Hexanyl]-1,2-Benzenediol

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzene-1,2-diol
Molecular Mass 286.365 g·mol−1
Heat of Formation -498.8 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 367.6 Å 3
Surface Area 314.17 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-, (r*,s*)-
  • 3'-hydroxyhexestrol
  • 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzene-1,2-diol
  • 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]pyrocatechol
  • 4-[(3r,4s)-4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol
CAS Number(s)
  • 82382-19-2
InChIKey KWYPVFQNTRXTSH-CVEARBPZSA-N
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