HCID22708450

Ethyl 3-(3-benzyl-4-hydroxyphenyl)-2-ethoxypropanoate

C20H24O4328.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(Cc1ccc(O)c(Cc2ccccc2)c1)OCC
InChIKey: KGDVVYBMDJBNAT-UHFFFAOYSA-N
分子式: C20H24O4
平均分子量: 328.4 g/mol
单同位素质量: 328.16745924

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 9
重原子: 24
形式电荷: 0
复杂度: 365

ALIASES

名称与别名

共 4 条

SCHEMBL979752KGDVVYBMDJBNAT-UHFFFAOYSA-Nethyl 3-(3-benzyl-4-hydroxyphenyl)-2-ethoxypropanoate3-(3-benzyl-4-hydroxy-phenyl)-2-ethoxy-propionic acid ethyl ester

REACTIONS

相关反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06750252B2

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uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06750252B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181181B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785681B2

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