基本情報
- 標準SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3O)cc1- InChIKey
ILCSABWKYUZMKY-UHFFFAOYSA-N- 分子式
- C23H24O3
- 平均分子量
- 348.4 g/mol
名称と識別子
- 優先名称
- Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate
名称と別名
SCHEMBL7640501ILCSABWKYUZMKY-UHFFFAOYSA-NEthyl 4- [(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-2-yl)ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl ) ethynyl ]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
データベース識別子
- PubChem CID
- 15391671
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 558
関連反応
36 件
関連ノート
読み込み中…