163565-66-0 (1-丙酮,3-[2-羟基-5-[3-(2-羟基-4-甲氧基苯基)-1-(4-羟基苯基)丙基]-4-甲氧基苯基]-1-(4-羟基苯基)-,1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-)

CAS号:
163565-66-0
中文名称:
1-丙酮,3-[2-羟基-5-[3-(2-羟基-4-甲氧基苯基)-1-(4-羟基苯基)丙基]-4-甲氧基苯基]-1-(4-羟基苯基)-
英文名称:
1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
分子式:
C32H32O7
分子量:
528.592289924622

1-丙酮,3-[2-羟基-5-[3-(2-羟基-4-甲氧基苯基)-1-(4-羟基苯基)丙基]-4-甲氧基苯基]-1-(4-羟基苯基)-(163565-66-0)名称与标识符

名称

英文别名:
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;

标识符

InChIKey:
HZJPAKJGVGOXRN-UHFFFAOYSA-N
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
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

1-丙酮,3-[2-羟基-5-[3-(2-羟基-4-甲氧基苯基)-1-(4-羟基苯基)丙基]-4-甲氧基苯基]-1-(4-羟基苯基)-(163565-66-0)物化性质

实验特性

  • PSA : 116.45
  • 沸点 : 784.9±60.0 °C(Predicted)
  • 酸度系数(pKa) : 8.08±0.15(Predicted)
  • 密度 : 1.277±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 528.21486
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 重原子数量 : 39
  • 疏水参数计算参考值(XlogP) : 2.861