2151-16-8 (2-(3,5-二氯-2,6-二羟基-4-甲基-苯甲酰基)-5-羟基-3-甲氧基-苯甲酰基-甲酯,2-(3,5-Dichlor-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoesaeure-methylester)

CAS号:
2151-16-8
中文名称:
2-(3,5-二氯-2,6-二羟基-4-甲基-苯甲酰基)-5-羟基-3-甲氧基-苯甲酰基-甲酯
英文名称:
2-(3,5-Dichlor-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoesaeure-methylester
分子式:
C17H14Cl2O7
分子量:
401.194863796234

2-(3,5-二氯-2,6-二羟基-4-甲基-苯甲酰基)-5-羟基-3-甲氧基-苯甲酰基-甲酯(2151-16-8)名称与标识符

名称

英文别名:
2-(3,5-Dichlor-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoesaeure-methylester;2-(3,5-dichloro-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoic acid methyl ester;Dihydrogeodin;dihydrogedin;methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate;m-Anisic acid, 2-(3,5-dichloro-4-methyl-.gamma.-resorcyloyl)-5-hydroxy-, methyl ester;UNII-2B275P7EST;Geodin, dihydro-;m-Anisic acid, 2-(3,5-dichloro-4-methyl-gamma-resorcyloyl)-5-hydroxy-, methyl ester;2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid methyl ester;Q27896640;2-[2,6-dihydroxy-3,5-dichloro-4-methylbenzoyl]-3-methoxy-5-hydroxybenzoic acid methyl ester;DTXSID10346502;methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoate;AXIPUIQLQUNOCF-UHFFFAOYSA-N;Methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate #;AKOS040735332;Benzoic acid, 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-, methyl ester;2151-16-8;2B275P7EST;CHEBI:155891;Compound NP-011814;CHEMBL2035565;2-(2,6-Dihydroxy-3,5-dichloro-4-methylbenzoyl)-3-methoxy-5-hydroxybenzoic acid methyl ester;BS-1564;2-[2,6-Dihydroxy-3,5-dichloro-4-methylbenzoyl]-3-methoxy-5-hydroxybenzoate methyl ester;2-(2,6-Dihydroxy-3,5-dichloro-4-methylbenzoyl)-3-methoxy-5-hydroxybenzoate methyl ester;Methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid;HY-N12916;DTXCID00297574;2-(3,5-Dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate methyl ester;CS-1054638;

标识符

InChIKey:
AXIPUIQLQUNOCF-UHFFFAOYSA-N
Inchi:
1S/C17H14Cl2O7/c1-6-12(18)15(22)11(16(23)13(6)19)14(21)10-8(17(24)26-3)4-7(20)5-9(10)25-2/h4-5,20,22-23H,1-3H3
SMILES:
ClC1C(C)=C(C(=C(C=1O)C(C1C(=CC(=CC=1C(=O)OC)O)OC)=O)O)Cl

2-(3,5-二氯-2,6-二羟基-4-甲基-苯甲酰基)-5-羟基-3-甲氧基-苯甲酰基-甲酯(2151-16-8)物化性质

计算特性

  • 精确分子量 : 400.0116582g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 400.0116582g/mol
  • 重原子数量 : 26
  • 复杂度 : 515
  • 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 : 113Ų

2-(3,5-二氯-2,6-二羟基-4-甲基-苯甲酰基)-5-羟基-3-甲氧基-苯甲酰基-甲酯(2151-16-8)相关文献