HCID12343545

(4-Butylphenyl)(4-methoxyphenyl)methanone

(4-butylphenyl)-(4-methoxyphenyl)methanone

C18H20O2268.3 g/molCAS 64357-38-6

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IDENTITY

结构与身份

标准SMILES: CCCCc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIKey: WBCMGWCERMMYQS-UHFFFAOYSA-N
分子式: C18H20O2
平均分子量: 268.3 g/mol
单同位素质量: 268.14632988

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 6
重原子: 20
形式电荷: 0
复杂度: 284

ALIASES

名称与别名

共 10 条

64357-38-6(4-BUTYLPHENYL)(4-METHOXYPHENYL)METHANONE(4-Butyl-phenyl)-(4-methoxy-phenyl)-methanone(4-butylphenyl)-(4-methoxyphenyl)methanoneMFCD10699490SCHEMBL7481808DTXSID90492455WBCMGWCERMMYQS-UHFFFAOYSA-N4-n-Butylphenyl 4-methoxyphenyl ketoneDB-309972

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2000_11 · 10.6084/m9.figshare.5104873.v1 · US06143764

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uspto-grants-2000_11 · 10.6084/m9.figshare.5104873.v1 · US06143764

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