64326-17-6 (1,3-二甲氧基-5-苯,1,3-dimethoxy-5-phenylbenzene)

快速询单

结构式：

1,3-二甲氧基-5-苯MOL文件

CAS号：

64326-17-6

中文名称：

1,3-二甲氧基-5-苯

英文名称：

1,3-dimethoxy-5-phenylbenzene

分子式：

C₁₄H₁₄O₂

分子量：

214.259764194489

植物源：

绿叶甘橿

1,3-二甲氧基-5-苯(64326-17-6)名称与标识符

名称

英文别名：

1,1'-Biphenyl, 3,5-dimethoxy-;1,3-dimethoxy-5-phenylbenzene;CHEMBL496247;EN300-249334;64326-17-6;3,5-Dimethoxy-1,1'-biphenyl;5-Phenyl-1,3-dimethoxybenzene;Z2768165537;DTXSID10466895;3,5-dimethoxybiphenyl;SCHEMBL2407878;

标识符

MDL：

MFCD26383676

InChIKey：

CQWCDYBZNSNECQ-UHFFFAOYSA-N

Inchi：

1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3

SMILES：

COC1C=C(C2C=CC=CC=2)C=C(OC)C=1

1,3-二甲氧基-5-苯(64326-17-6)物化性质

实验特性

PSA : 18.46

计算特性

精确分子量 : 214.09942
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 214.099379685g/mol
重原子数量 : 16
复杂度 : 187
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 : 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） : 3.5
拓扑分子极性表面积 : 18.5Å²

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