基本情報
- 標準SMILES
COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(O)cc2)cc1- InChIKey
YEYASRFTCLKCFD-UHFFFAOYSA-N- 分子式
- C23H18O4S
- 平均分子量
- 390.5 g/mol
- 単同位体質量
- 390.09258022
名称と識別子
- 優先名称
- 2-(4-Methoxyphenyl)-3-(4-Hydroxybenzoyl)-6-Methoxybenzo[b]thiophene
- IUPAC
- (4-hydroxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
名称と別名
SCHEMBL1665792YEYASRFTCLKCFD-UHFFFAOYSA-NDB-1310632-(4-Methoxyphenyl)-3-(4-Hydroxybenzoyl)-6-Methoxybenzo[b]thiophene6-Methoxy-2-(4-methoxyphenyl)-3-(4-hydroxybenzoyl)benzo[b]thiophene(4-Hydroxyphenyl)[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl]methanone(4-hydroxyphenyl)[6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl]methanone[2-(4-Methoxyphenyl)-6-methoxybenzo[b]thien-3-yl][4-hydroxyphenyl]methanone[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophen-3-yl]-(4-hydroxy-phenyl)-methanone[6-Methoxy-2-(4-methoxyphenyl)benzo [b]thiophen-3-yl](4-hydroxyphenyl)methanone[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-hydroxyphenyl]methanone[6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl](4-hydroxyphenyl)methanone
名称をさらに表示
63676-19-7
データベース識別子
- PubChem CID
- 9865197
- Nikkaji
- J3.479.265H
物性
構造計算による物性
- XLogP
- 5.5
- 極性表面積
- 84 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 525
関連反応
42 件
関連ノート
読み込み中…