HCID44447701

2-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-2-ylmethoxy)phenol

2-(2-phenyl-2-bicyclo[2.2.1]heptanyl)-4-(quinolin-2-ylmethoxy)phenol

C29H27NO2421.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC2CCC1C2
InChIKey: ZKLNDDMIESNWFZ-UHFFFAOYSA-N
分子式: C29H27NO2
平均分子量: 421.5 g/mol
单同位素质量: 421.2041791

COMPUTED

结构计算性质

已同步

XLogP: 7.3
极性表面积: 42.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 633

ALIASES

名称与别名

共 6 条

CHEMBL258432SCHEMBL3579840ZKLNDDMIESNWFZ-UHFFFAOYSA-NBDBM502350902-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-2-ylmethoxy)phenol(+/-)-2-(2-Phenylbicyclo[2.2.1]hept-2-yl)-4-(quinolin-2-ylmethoxy)phenol

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07629467B2

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