288401-52-5 (2,4-dimethyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one,2,4-dimethyl-6-(2-phenyl-1h-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one)

CAS号:
288401-52-5
中文名称:
2,4-dimethyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
英文名称:
2,4-dimethyl-6-(2-phenyl-1h-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
分子式:
C17H16N2O
分子量:
264.321743965149

2,4-dimethyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one(288401-52-5)名称与标识符

名称

中文别名:
2,4-dimethyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one;
英文别名:
2,4-dimethyl-6-(2-phenyl-1h-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one;2,4-DIMETHYL-6-(1-PHENYL-1H-PYRAZOL-5-YL)PHENOL;CTK4G2237;AG-E-93317;KB-225760;5-(3,5-DIMETHYL-2-HYDROXYPHENYL)-1-PHENYLPYRAZOLE;2,4-DIMETHYL-6-(1-PHENYL-1H-PYRAZOL-5-YL)PHENOL; CTK4G2237; AG-E-93317; KB-225760; 5-(3,5-DIMETHYL-2-HYDROXYPHENYL)-1-PHENYLPYRAZOLE;;2,4-DIMETHYL-6-(2-PHENYLPYRAZOL-3-YL)PHENOL;DTXSID50695480;288401-52-5;Phenol, 2,4-dimethyl-6-(1-phenyl-1H-pyrazol-5-yl)-;2,4-Dimethyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one;

标识符

InChIKey:
SGRGAEFILJFORS-UHFFFAOYSA-N
Inchi:
1S/C17H16N2O/c1-12-10-13(2)17(20)15(11-12)16-8-9-18-19(16)14-6-4-3-5-7-14/h3-11,20H,1-2H3
SMILES:
OC1C(C)=CC(C)=CC=1C1=CC=NN1C1C=CC=CC=1

2,4-dimethyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one(288401-52-5)物化性质

实验特性

  • LogP : 3.86170
  • PSA : 38.05000

计算特性

  • 精确分子量 : 264.12600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 264.126
  • 重原子数量 : 20
  • 复杂度 : 545
  • 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 : 1
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.9
  • 拓扑分子极性表面积 : 38Ų