3-Buten-2-One, 4- (4-Hydroxy-3-Methoxyphenyl)-

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Properties Simple | Detailed

Formula C11H12O3
IUPAC Name (e)-4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one
Molecular Mass 192.211 g·mol−1
Heat of Formation -369.8 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 234.87 Å 3
Surface Area 231.54 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (0)-dehydroparadol
  • (e)-4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one
  • (e)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
  • (o)-dehydroparadol
  • (o)-paradol, dehydro-
  • 3-buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
  • 3-methoxy-4-hydroxybenzalacetone
  • 4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one
  • 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
  • 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
  • 4-hydroxy-3-methoxybenzylideneacetone
  • 4-hydroxy-3-methoxystyryl methyl ketone
  • [0]-dehydroparadol
  • [0]-paradol, dehydro-
  • dehydro(o)-paradol
  • dehydrozingerone
  • methyl-3-methoxy-4-hydroxy styryl ketone
  • mhsk
  • vanillalacetone
  • vanillidene acetone
  • vanillylidenacetone
  • vanillylidene acetone
  • vanylidenacetone
CAS Number(s)
  • 1080-12-2
InChIKey AFWKBSMFXWNGRE-ONEGZZNKSA-N
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