(2E)-1-[2,4-Dihydroxy-5-(3-Methyl-2-Buten-1-Yl)Phenyl]-3-(4-Hydroxyphenyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C20H20O4
IUPAC Name (e)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 324.370 g·mol−1
Heat of Formation -493.4 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 398.34 Å 3
Surface Area 365.53 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-(2,4-dihydroxy-5-(3-methyl-but-2-enyl)-phenyl)-3-(4-hydroxy-phenyl)-propenone
  • (e)-1-[2,4-dihydroxy-5-(3-methyl-but-2-enyl)-phenyl]-3-(4-hydroxy-phenyl)-propenone
  • (e)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • bavachalcone
CAS Number(s)
  • 28448-85-3
InChIKey BLZGPHNVMRXDCB-UXBLZVDNSA-N
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