72495-97-7 ((2-/4-CYCLOHEXYLPHENOL)

快速询单

结构式：

2-/4-CYCLOHEXYLPHENOLMOL文件

CAS号：

72495-97-7

英文名称：

2-/4-CYCLOHEXYLPHENOL

分子式：

C₁₂H₁₆O

分子量：

176.254843711853

2-/4-CYCLOHEXYLPHENOL(72495-97-7)名称与标识符

名称

英文别名：

4-CYCLOHEXYLPHENOL;EN300-21193;4-CYCLOHEXYL-PHENOL;DTXSID50862559;2(4)-Cyclohexylphenol;PS-8579;NSC-5245;InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2;SR-01000391297-1;72495-97-7;SCHEMBL218897;EINECS 214-465-4;AKOS000121207;W-108625;Phenol, p-cyclohexyl-;CS-W002167;MFCD00035699;p-Cyclohexylphenol;FT-0601164;Phenol, 4-cyclohexyl-;FT-0624232;SR-01000391297;4-(cyclohexyl)phenol;NSC5245;EU-0033713;UNII-M5536IXU6K;1131-60-8;4-Hydroxyphenylcyclohexane;M5536IXU6K;Z104493638;Q27283501;p-Hydroxyphenylcyclohexane;4-cyclohexyl-phenol, AldrichCPR;NSC 5245;AI3-09330;OAHMVZYHIJQTQC-UHFFFAOYSA-;PD056781;4-Cyclohexyphenol;Phenol, 2(or 4)-cyclohexyl-;NS00001132;A803061;

标识符

InChIKey：

OAHMVZYHIJQTQC-UHFFFAOYSA-N

Inchi：

1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2

SMILES：

OC1C=CC(=CC=1)C1CCCCC1

2-/4-CYCLOHEXYLPHENOL(72495-97-7)物化性质

计算特性

精确分子量 : 176.120115130g/mol
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 176.120115130g/mol
重原子数量 : 13
复杂度 : 141
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） : 4.2
拓扑分子极性表面积 : 20.2Å²

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