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

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Properties Simple | Detailed

Formula C18H22O2
IUPAC Name 3-[(1s,2r)-1-ethyl-2-(3-hydroxyphenyl)butyl]phenol
Molecular Mass 270.366 g·mol−1
Heat of Formation -327.1 ± 16.7 kJ·mol−1
Dipole Moment 0.03 ± 1.08 D
Volume 357.91 Å 3
Surface Area 305.41 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry Ci
Synonyms
  • 3-[(1s,2r)-1-ethyl-2-(3-hydroxyphenyl)butyl]phenol
  • 3-[(3s,4r)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
  • metahexestrol
InChIKey KUJAWCSIKNKXLL-HDICACEKSA-N
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Elements H C O