4,4'-[(3R,4R)-3,4-Hexanediyl]Diphenol

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Properties Simple | Detailed

Formula C18H22O2
IUPAC Name 4-[(1r,2r)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
Molecular Mass 270.366 g·mol−1
Heat of Formation -317.3 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 361.01 Å 3
Surface Area 299.98 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C2
Synonyms
  • (+-)-hexestrol
  • (.+-.)-hexestrol
  • 4-[(1r,2r)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
  • 4-[(3r,4r)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
  • dl-hexestrol
  • isohexestrol
  • phenol, (.+-.)-4,4'-(1,2-diethylethylene)di-
  • phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (r*,r*)-(.+-.)-
  • phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (r*,r*)-, (+-)-
  • phenol, 4,4'-(1,2-diethylethylene)di-, (+-)-
  • phenol, 4,4'-(1,2-diethylethylene)di-, (.+-.)-
CAS Number(s)
  • 5776-72-7
InChIKey PBBGSZCBWVPOOL-ROUUACIJSA-N
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