[4-[1-(4-Acetyloxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] acetate
기본 정보
- CAS
301327-03-7- 표준 SMILES
CC(=O)Oc1cc(C)c(C2(c3cc(C(C)C)c(OC(C)=O)cc3C)OC(=O)c3ccccc32)cc1C(C)C- InChIKey
IDSHJIKWDNOMJY-UHFFFAOYSA-N- 분자식
- C32H34O6
- 평균 분자량
- 514.6 g/mol
이름 및 식별자
- 우선 이름
- [4-[1-(4-Acetyloxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] acetate
- IUPAC
- [4-[1-(4-acetyloxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] acetate
- 영어명
- (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(2-isopropyl-5-methyl-4,1-phenylene) diacetate
- 분자식
- C32H34O6
- 분자량
- 514.61
이름 및 동의어
301327-03-7[4-[1-(4-acetyloxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] acetate4-{1-[4-(acetyloxy)-5-isopropyl-2-methylphenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-2-isopropyl-5-methylphenyl acetate(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(2-isopropyl-5-methyl-4,1-phenylene) diacetateSCHEMBL14095184STK027513AKOS000485249ST054935AG-205/07678051(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-isopropyl-5-methyl-4,1-phenylene) diacetate(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl diacetate4-{1-[4-acetyloxy-2-methyl-5-(methylethyl)phenyl]-3-oxohydroisobenzofuranyl}-5 -methyl-2-(methylethyl)phenyl acetate
이름 더 보기
1(3H)-Isobenzofuranone, 3,3-bis[4-(acetyloxy)-2-methyl-5-(1-methylethyl)phenyl]-
데이터베이스 식별자
- CAS
301327-03-7- Nikkaji
- J3.787.722K
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 829
물리화학적 성질
- 끓는 점
- 577.7 · 577.7±50.0 °C(Predicted)
- 밀도
- 1.167 · 1.167±0.06 g/cm3(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…