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

HCID 69548829

기본 정보

표준 SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)O3)cc1F
InChIKey
OFXWCMSSPCAQLA-UHFFFAOYSA-N
분자식
C25H27FO3
평균 분자량
394.5 g/mol

이름 및 식별자

우선 이름
[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

이름 및 동의어

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

데이터베이스 식별자

PubChem CID
69548829

물성

구조 계산 물성

XLogP
6.1
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
29

관련 반응

33건

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