3-O-Methylbutein

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (e)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -631.9 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 325.01 Å 3
Surface Area 305.24 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one
  • (e)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
  • (e)-2',4,4'-trihydroxy-3-methoxychalcone
  • 1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
  • 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
  • homobutein
CAS Number(s)
  • 34000-39-0
  • 21583-31-3
InChIKey BWFSBUVPIAIXKJ-QHHAFSJGSA-N
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