[2-Fluoro-4-(2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid ethyl ester

HCID 69548829

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

関連反応

33 件

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