4-[(3S,4R)-4-(4-Hydroxyphenyl)-3-Hexanyl]-3-Cyclohexen-1-One

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Properties Simple | Detailed

Formula C18H24O2
IUPAC Name 4-[(1s,2r)-1-ethyl-2-(4-hydroxyphenyl)butyl]cyclohex-3-en-1-one
Molecular Mass 272.382 g·mol−1
Heat of Formation -378.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 364.75 Å 3
Surface Area 307.06 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(cyclohex-3-en-1-on-4-yl)-4-(4-hydroxyphenyl)hexane
  • 3-chph
  • 3-cyclohexen-1-one, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-, (r*,s*)-
  • 4-[(1s,2r)-1-ethyl-2-(4-hydroxyphenyl)butyl]-1-cyclohex-3-enone
  • 4-[(1s,2r)-1-ethyl-2-(4-hydroxyphenyl)butyl]cyclohex-3-en-1-one
  • 4-[(3s,4r)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohex-3-en-1-one
CAS Number(s)
  • 129579-58-4
InChIKey FQWBKFFNHFNQHT-ZWKOTPCHSA-N
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