基本情報
- 標準SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)O3)cc1F- InChIKey
OFXWCMSSPCAQLA-UHFFFAOYSA-N- 分子式
- C25H27FO3
- 平均分子量
- 394.5 g/mol
名称と識別子
- 優先名称
- [2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid ethyl ester
- IUPAC
- ethyl 2-[2-fluoro-4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]acetate
名称と別名
SCHEMBL5737713OFXWCMSSPCAQLA-UHFFFAOYSA-N[2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl] acetic acid ethyl ester[2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic Acid Ethyl Ester[2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl] Acetic Acid Ethyl Ester[2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid ethyl ester[2-fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl] acetic acid ethyl ester[2-fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid ethyl ester[2-fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl] acetic acid ethyl ester[2-fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl]acetic acid ethyl ester
データベース識別子
- PubChem CID
- 69548829
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 655
関連反応
33 件
化合物ノート
読み込み中…