methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate|Methyl 4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-4-carboxylate|4-(Methoxycarbonyl)-4'-[(morpholin-4-yl)methyl]biphenyl|methyl 4-[4-(morpholin-4-yl...

基本信息

化学结构

分子式

C₁₉H₂₁NO₃

分子量

311.37494

精确质量

311.15214354

电荷

InChI

InChI=1S/C19H21NO3/c1-22-19(21)18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3

InChIKey

STJYUDXIDUXZKM-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCOCC1

Isomeric Smiles

O(C(=O)c1ccc(cc1)c1ccc(cc1)CN1CCOCC1)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.5839874

LogD (pH = 7.4)

3.1089094

Log P

3.3468444

摩尔折射率

90.8367

极化性

36.41353

极化表面积

38.77

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate

别名

4-(Methoxycarbonyl)-4'-[(morpholin-4-yl)methyl]biphenylMethyl 4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-4-carboxylate4-{[4'-(Methoxycarbonyl)biphenyl-4-yl]methyl}morpholine4'-(4-Morpholinylmethyl)biphenyl-4-carboxylic acid methyl ester4'-(4-吗啉基甲基)联苯-4-羧酸甲酯Methyl 4'-(4-morpholinylmethyl)biphenyl-4-carboxylate

IUPAC传统名

methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate

名称和标识

数据登录号

PubChem CID

71300069

PubChem SID

162104717

MDL号

MFCD16294540

数据登录号

化合物性质