苯乙醇,a-[4-[2-(二乙氨基)乙氧基]苯基]-4-甲氧基-a-苯基- | 67-98-1
苯乙醇,a-[4-[2-(二乙氨基)乙氧基]苯基]-4-甲氧基-a-苯基-
Benzeneethanol, a-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-a-phenyl-
67-98-1
C27H33NO3
419.55582
名称和标识符
InChIKey |
KDYQVUUCWUPJGE-UHFFFAOYSA-N |
Inchi |
InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3 |
SMILES |
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O |
别名信息
- 英文别名 -
- Benzeneethanol, a-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-a-phenyl-
- 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol
- Ethamoxytriphetol
- (p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanol
- 1-[p-(2-diethylaminoethoxy)phenyl]-2-(p-methoxyphenyl)-1-phenylethanol
- 1-[p-(2-diethylaminoethoxy)-phenyl]-2-(p-methoxyphenyl)-1-phenylethanol
- 1-< 4-(2-Diethylamino-ethoxy)-phen
- 1-< 4-(2-Diethylamino-ethoxy)-phenyl> -1-phenyl-2-(4-methoxy-phenyl)-ethanol
- BRN 2017765
- Ethamoxytriphenol
- Ethanoxytriphetol
- MER 25
- MER-25
- NSC19857
- Ethanol, 1-[p-[2-(diethylamino)ethoxy]phenyl]-2-(p-methoxyphenyl)-1-phenyl-
- {1-[4-(2-Diethylaminoethoxy)phenyl]-1-phenyl-2-(p-anisyl)ethanol}
- 1-[4-(2-Diethylaminoethoxy)phenyl]-1-phenyl-2-(p-anisyl)ethanol
- NSC-19857
- CS-0067656
- UNII-2ND166F554
- Benzeneethanol, alpha-(4-(2-(diethylamino)ethoxy)phenyl)-4-methoxy-alpha-phenyl-
- HY-118633
- NSC 19857
- 2ND166F554
- PD011679
- WLN: 2N2&2OR DXQR&1R DO1
- 1-(P-(2-DIETHYLAMINOETHOXY)PHENYL)-2-(P-METHOXYPHENYL)-1-PHENYLETHANOL
- BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-4-METHOXY-.ALPHA.-PHENYL-
- AKOS030584230
- 1-(4-(2-Diethylaminoethoxy)phenyl)-1-phenyl-2-(p-anisyl)ethanol
- 1-{4-[2-(diethylamino)-ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethanol
- Benzeneethanol, .alpha.-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-.alpha.-phenyl-
- 1-[p-[2-(Diethylamino)ethoxy]phenyl]-1-phenyl-2-(p-methoxyphenyl)ethanol
- Benzeneethanol, {.alpha.-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-.alpha.-pheny} l-
- 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol
- ETHAMOXYTRIPHETOL
- Ethanol, 1-(p-(2-(diethylamino)ethoxy)phenyl)-2-(p-methoxyphenyl)-1-phenyl-
- {1-[p-[2-(Diethylamino)ethoxy]phenyl]-1-phenyl-2-(p-methoxyphenyl)e} thanol
- NSC 19857
- MER 25
- 4-Methoxy-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol
- 1-(4-{[2-(diethylamino)ethyl]oxy}phenyl)-2-[4-(methyloxy)phenyl]-1-phenylethanol
- CHEBI:34748
- SCHEMBL330094
- CHEMBL47647
- Ethanol, {1-[p-[2-(diethylamino)ethoxy]phenyl]-2-(p-methoxyphenyl)-1-phenyl-}
- 1-(4-(2-(Diethylamino)ethoxy)phenyl)-2-(4-methoxyphenyl)-1-phenylethanol
- 67-98-1
- AI3-50793
- NCI60_001651
- alpha-[4-[2-(Diethylamino)ethoxy]phenyl]-4-methoxy-alpha-phenylbenzeneethanol
- DTXSID6020806
- Q25091482
- 1-(p-(2-(Diethylamino)ethoxy)phenyl)-1-phenyl-2-(p-methoxyphenyl)ethanol
- 1-(p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanol
物化性质
实验特性
LogP |
4.89440 |
PSA |
41.93 |
折射率 |
1.6400 (estimate) |
沸点 |
537.01°C (rough estimate) |
闪点 |
281.8°C |
密度 |
1.1111 (rough estimate) |
计算特性
精确分子量 |
419.24619 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
11 |
同位素质量 |
419.246044 |
重原子数量 |
31 |
复杂度 |
475 |
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 |
1 |
确定化学键立构中心数量 |
0 |
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) |
5.2 |
拓扑分子极性表面积 |
41.9 |