Cas no 163565-66-0 (1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-)

1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)- structure
163565-66-0 structure
Product Name:1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
CAS No:163565-66-0
MF:C32H32O7
MW:528.592289924622
CID:207083
Update Time:2024-03-01

1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
    • 1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-,(?à)-
    • Cinnabarone
    • 1-Propanone, 3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
    • 3-[2-Hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-1-propanone
    • Inchi: 1S/C32H32O7/c1-38-26-14-7-22(30(36)18-26)8-15-27(20-3-10-24(33)11-4-20)28-17-23(31(37)19-32(28)39-2)9-16-29(35)21-5-12-25(34)13-6-21/h3-7,10-14,17-19,27,33-34,36-37H,8-9,15-16H2,1-2H3
    • InChI Key: HZJPAKJGVGOXRN-UHFFFAOYSA-N
    • SMILES: C(C1=CC=C(O)C=C1)(=O)CCC1=CC(C(C2=CC=C(O)C=C2)CCC2=CC=C(OC)C=C2O)=C(OC)C=C1O

Computed Properties

  • Exact Mass: 528.21486
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 39
  • XLogP3: 2.861

Experimental Properties

  • Density: 1.277±0.06 g/cm3(Predicted)
  • Boiling Point: 784.9±60.0 °C(Predicted)
  • PSA: 116.45
  • pka: 8.08±0.15(Predicted)

1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)- Related Literature

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