HCID67317099

2-(2-(3-(2,6-Dimethylbenzyloxy)phenoxy)ethyl)isoindoline-1,3-dione

2-[2-[3-[(2,6-dimethylphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione

C25H23NO4401.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cccc(C)c1COc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIKey: POMNDGIJKMXWSK-UHFFFAOYSA-N
分子式: C25H23NO4
平均分子量: 401.5 g/mol
单同位素质量: 401.16270821

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 7
重原子: 30
形式电荷: 0
复杂度: 574

ALIASES

名称与别名

共 4 条

SCHEMBL2207750POMNDGIJKMXWSK-UHFFFAOYSA-N2-(2-(3-(2,6-dimethylbenzyloxy)phenoxy)ethyl)isoindoline-1,3-dione2-(2-(3-(2,6-dimethylbenzyloxyl)phenoxy)ethyl)isoindoline-1,3-dione

REACTIONS

参与反应

6 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829244B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08981153B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08993807B2

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07982071B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079825B2

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