Licochalcone A

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Properties Simple | Detailed

Formula C21H22O4
IUPAC Name (e)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 338.397 g·mol−1
Heat of Formation -423.5 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 420.57 Å 3
Surface Area 368.21 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one
  • (e)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (e)-
  • 2-propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)- (e)-
  • 3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 3-dimethylallyl-4,4'-dihydroxy-6-methoxychalcone
  • hsci1_000078
  • licochalcone-a, synthetic
CAS Number(s)
  • 58749-22-7
InChIKey KAZSKMJFUPEHHW-DHZHZOJOSA-N
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