HCID91863

Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester

benzyl 4-phenylmethoxybenzoate

C21H18O3318.4 g/molCAS 56442-22-9

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IDENTITY

结构与身份

标准SMILES: O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIKey: BPLKDVGMXNZCQO-UHFFFAOYSA-N
分子式: C21H18O3
平均分子量: 318.4 g/mol
单同位素质量: 318.12559443

COMPUTED

结构计算性质

等待补全

XLogP: 5.4
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 7
重原子: 24
形式电荷: 0
复杂度: 361

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 25 条

Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl esterRefChem:56593556442-22-9BENZYL 4-BENZYLOXYBENZOATEBenzyl p-(benzyloxy)benzoatebenzyl 4-(benzyloxy)benzoatebenzyl 4-phenylmethoxybenzoatephenylmethyl 4-(phenylmethoxy)benzoateMFCD000757714YU76GHP4ZNSC-1418374-benzyloxybenzoic acid benzyl esterEINECS 260-185-0benzyl p-benzyloxybenzoateUNII-4YU76GHP4ZSCHEMBL50807p-BenzyloxybenzoesaurebenzylesterCHEMBL3278102DTXSID30204998NSC141837

REACTIONS

参与反应

8 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05618528

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05618528

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

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uspto-grants-1990_11 · 10.6084/m9.figshare.5104873.v1 · US04973737

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05853713

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05853713

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