4-Hydroxyderricin

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Properties Simple | Detailed

Formula C21H22O4
IUPAC Name (e)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 338.397 g·mol−1
Heat of Formation -475.7 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 419.15 Å 3
Surface Area 375.28 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 1-(2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (e)-
  • 2-propen-1-one, 1-[2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2e)-
CAS Number(s)
  • 55912-03-3
InChIKey XDKYBPGIBVMHHB-KPKJPENVSA-N
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