Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoate

HCID 15391671

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

関連反応

36 件

関連ノート

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