Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看![2-[(4-Chlorobenzyl)oxy]-1-ethanol 分子结构式](/api/mol/2763751/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- OCCOCc1ccc(Cl)cc1
- InChIKey
- QWKQPDIBDYVUIZ-UHFFFAOYSA-N
- 分子式
- C9H11ClO2
- 平均分子量
- 186.63 g/mol
- 单同位素质量
- 186.0447573
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 29.5 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 111
ALIASES
名称与别名
1200-15-32-[(4-chlorobenzyl)oxy]-1-ethanol2-[(4-chlorophenyl)methoxy]ethanol2-((4-Chlorobenzyl)oxy)ethanol2-[(4-chlorophenyl)methoxy]ethan-1-olMFCD00172032Ethanol, 2-[(4-chlorophenyl)methoxy]-2-(4-chloro-benzyloxy)-ethanol2-{[(4-chlorophenyl)methyl]oxy}ethanolSCHEMBL1179088DTXSID30377131QWKQPDIBDYVUIZ-UHFFFAOYSA-NSBB0905082-((4-Chlorobenzyl)oxy)ethan-1-olAKOS005070193SB84050DB-041519CS-04538423G-963
REACTIONS
参与反应
uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853404B2
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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853404B2
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07488827B2
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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07488827B2
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uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07498440B2
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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309572B2
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