기본 정보
- 표준 SMILES
Cc1cc(C#Cc2ccc(CC(=O)O)cc2)ccc1C1(OCC(C)(C)C)CC1- InChIKey
QLUKNAMQMQFMKP-UHFFFAOYSA-N- 분자식
- C25H28O3
- 평균 분자량
- 376.5 g/mol
이름 및 식별자
- 우선 이름
- {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
이름 및 동의어
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
데이터베이스 식별자
- PubChem CID
- 10199546
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 605
관련 반응
17건
화합물 노트
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