{4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic Acid
基本情報
- 標準SMILES
Cc1cc(C#Cc2ccc(CC(=O)O)cc2)ccc1C1(OCC(C)(C)C)CC1- InChIKey
QLUKNAMQMQFMKP-UHFFFAOYSA-N- 分子式
- C25H28O3
- 平均分子量
- 376.5 g/mol
名称と識別子
- 優先名称
- {4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic Acid
- IUPAC
- 2-[4-[2-[4-[1-(2,2-dimethylpropoxy)cyclopropyl]-3-methylphenyl]ethynyl]phenyl]acetic acid
名称と別名
SCHEMBL5737550QLUKNAMQMQFMKP-UHFFFAOYSA-N{4-[4-[1-(2,2 -Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic acid{4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenvlethynyl]-phenyl}-acetic acid{4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic Acid{4-[4-[1-(2.2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic acid{4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropy 1]-3-methyl-phenylethynyl]-phenyl}-acetic acid
データベース識別子
- PubChem CID
- 10199546
物性
構造計算による物性
- XLogP
- 5.5
- 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
- 8
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 605
関連反応
17 件
化合物ノート
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