3-[(4R,5S)-5-(3-Hydroxyphenyl)-4-Octanyl]Phenol

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Properties Simple | Detailed

Formula C20H26O2
IUPAC Name 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-propyl-pentyl]phenol
Molecular Mass 298.419 g·mol−1
Heat of Formation -372.6 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 402.16 Å 3
Surface Area 336.74 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (r*,s*)-3,3'-(1,2-dipropyl-1,2-ethanediyl)bisphenol
  • 1,2-dipropyl-1,2-bis(3'-hydroxyphenyl)ethane
  • 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-propyl-pentyl]phenol
  • 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-propylpentyl]phenol
  • 3-[(4s,5r)-5-(3-hydroxyphenyl)octan-4-yl]phenol
  • phenol, 3,3'-(1,2-dipropyl-1,2-ethanediyl)bis-, (r*,s*)-
CAS Number(s)
  • 78682-43-6
InChIKey OKFPCSHCYFRDHK-BGYRXZFFSA-N
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