基本信息
- 标准SMILES
CCCCCCCCCCOc1cnc(-c2ccc(C(C)O)cc2)nc1- InChIKey
OWZDMWVYHREYFO-UHFFFAOYSA-N- 分子式
- C22H32N2O2
- 平均分子量
- 356.5 g/mol
名称与标识
- 首选名称
- 2-(4-(1-Hydroxyethyl)phenyl)-5-decyloxypyrimidine
- IUPAC
- 1-[4-(5-decoxypyrimidin-2-yl)phenyl]ethanol
名称与别名
2-(4-(1-hydroxyethyl)phenyl)-5-decyloxypyrimidine2-{4-(1-hydroxyethyl)phenyl}-5-decyloxypyrimidineSCHEMBL7856824OWZDMWVYHREYFO-UHFFFAOYSA-N2-(4-(1-hydroxyethyl) phenyl)-5-decyloxypyrimidine(+)-2-{4-(1-hydroxyethyl)phenyl}-5-decyloxypyrimidine(-)-(4-(1-hydroxy-ethyl)phenyl)-5-decyloxypyrimidine(-)-(4-(1-hydroxyethyl) phenyl)-5-decyloxypyrimidine(-)-2-{4-(1-hydroxyethyl)phenyl}-5-decyloxypyrimidine
数据库标识
- PubChem CID
- 21468280
性质
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 55.2 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 12
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 337
相关反应
20 条
关联笔记
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