2-丙烯-1-酮,1-(5-乙酰基-2,4-二羟基苯基)-3-(4-羟基-3-甲氧基苯基)- | 108051-28-1
2-丙烯-1-酮,1-(5-乙酰基-2,4-二羟基苯基)-3-(4-羟基-3-甲氧基苯基)-
2-Propen-1-one,1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
108051-28-1
C18H16O6
328.31604
名称和标识符
InChIKey |
BVQNOEWBRFGOAV-HWKANZROSA-N |
Inchi |
InChI=1S/C18H16O6/c1-10(19)12-8-13(17(23)9-16(12)22)14(20)5-3-11-4-6-15(21)18(7-11)24-2/h3-9,21-23H,1-2H3/b5-3+ |
SMILES |
C(C1=CC(C(=O)/C=C/C2C=CC(O)=C(OC)C=2)=C(O)C=C1O)(=O)C |
别名信息
- 英文别名 -
- 2-Propen-1-one,1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
- (E)-1-(5-acetyl-2,4-dihydroxy-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)pr op-2-en-1-one
- 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
- ACMC-20mbap
- AG-D-24168
- CTK4A5825
- CTK8G5352
- BRN 5598819
- 108051-28-1
- Acrylophenone, 5'-acetyl-2',4'-dihydroxy-3-(p-hydroxy-m-methoxyphenyl)-
- 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
- (E)-1-(5-ACETYL-2,4-DIHYDROXY-PHENYL)-3-(4-HYDROXY-3-METHOXY-PHENYL)PR OP-2-EN-1-ONE
- 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
- (E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
物化性质
计算特性
精确分子量 |
328.09468823g/mol |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
5 |
同位素质量 |
328.09468823g/mol |
重原子数量 |
24 |
复杂度 |
488 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
1 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.4 |
拓扑分子极性表面积 |
104Ų |
2-丙烯-1-酮,1-(5-乙酰基-2,4-二羟基苯基)-3-(4-羟基-3-甲氧基苯基)-推荐生产厂家