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
- 형식 전하
- 0
- 복잡도
- 655
관련 반응
33건
연결된 노트
불러오는 중…