HCID86585923

Methyl{4-[4-(1-benzyloxycyclopropyl)-phenylethynyl]-phenyl}-acetate

methyl 2-[4-[2-[4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetate

C27H24O3396.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1ccc(C#Cc2ccc(C3(OCc4ccccc4)CC3)cc2)cc1
InChIKey: NBBLVSSVECGEJY-UHFFFAOYSA-N
分子式: C27H24O3
平均分子量: 396.5 g/mol
单同位素质量: 396.17254462

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 9
重原子: 30
形式电荷: 0
复杂度: 615

ALIASES

名称与别名

共 3 条

NBBLVSSVECGEJY-UHFFFAOYSA-Nmethyl{4-[4-(1-benzyloxycyclopropyl)-phenylethynyl]-phenyl}-acetatemethyl {4-[4-(1-benzyloxycyclopropyl)-phenylethynyl]-phenyl}-acetate

REACTIONS

相关反应

44 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06359135B1

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