4,4'-[(3Z)-1-Hydroxy-3-Hexene-3,4-Diyl]Diphenol

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Properties Simple | Detailed

Formula C18H20O3
IUPAC Name 4-[(z)-1-ethyl-4-hydroxy-2-(4-hydroxyphenyl)but-1-enyl]phenol
Molecular Mass 284.350 g·mol−1
Heat of Formation -421.0 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 362.19 Å 3
Surface Area 306.38 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-bhth
  • 3,4-bis(4-hydroxyphenyl)-3-hexenol
  • 3,4-bis(4-hydroxyphenyl)-trans-3-hexenol
  • 3,4-bis(p-hydroxyphenyl)-trans-3-hexenol
  • 4-[(z)-1-(2-hydroxyethyl)-2-(4-hydroxyphenyl)but-1-enyl]phenol
  • 4-[(z)-1-hydroxy-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
  • benzenepropanol, 4-hydroxy-gamma-(1-(4-hydroxyphenyl)propylidene)-
  • benzenepropanol, 4-hydroxy-gamma-(1-(4-hydroxyphenyl)propylidene)-, (e)-
CAS Number(s)
  • 62080-79-9
InChIKey AHVATZBFNWVXRV-ZCXUNETKSA-N
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