HCID257987

4-(4-Methoxybenzyl)benzoic acid

4-[(4-methoxyphenyl)methyl]benzoic acid

C15H14O3242.27 g/molCAS 67205-89-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1ccc(Cc2ccc(C(=O)O)cc2)cc1
InChIKey: QPHDHXRUYLOULG-UHFFFAOYSA-N
分子式: C15H14O3
平均分子量: 242.27 g/mol
单同位素质量: 242.0942943

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 261

ALIASES

名称与别名

共 10 条

4-(4-methoxybenzyl)benzoic acid67205-89-4Benzoicacid, 4-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]benzoic acidNSC86619NCIOpen2_004864SCHEMBL11464459DTXSID20292980QPHDHXRUYLOULG-UHFFFAOYSA-NNSC-86619

REACTIONS

参与反应

9 条

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04153719

查看

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04153719

查看

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04153719

查看

uspto-grants-1979_10 · 10.6084/m9.figshare.5104873.v1 · US04171371

查看

uspto-grants-1979_10 · 10.6084/m9.figshare.5104873.v1 · US04171371

查看

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

查看

uspto-grants-1980_06 · 10.6084/m9.figshare.5104873.v1 · US04208425

查看

uspto-grants-1980_06 · 10.6084/m9.figshare.5104873.v1 · US04208425

查看