기본 정보
- CAS
21147-34-2- 표준 SMILES
COc1cc(C)c(C(=O)c2c(C)cc(O)cc2O)c(O)c1- InChIKey
DEXKKZDNPAOTED-UHFFFAOYSA-N- 분자식
- C16H16O5
- 평균 분자량
- 288.29 g/mol
- 단동위원소 질량
- 288.09977361
이름 및 식별자
- 우선 이름
- (2,4-Dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanone
- IUPAC
- (2,4-dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanone
- 현지명
- 2,2',4-트리하이드록시-4'-메톡시-6,6'-디메틸벤조페논
- 영어명
- 2,2',4-Trihydroxy-4'-methoxy-6,6'-dimethylbenzophenone
- 분자식
- C16H16O5
- 분자량
- 288.3
이름 및 동의어
DTXSID3034377521147-34-2(2,4-dihydroxy-6-methylphenyl)-(2-hydroxy-4-methoxy-6-methylphenyl)methanoneRefChem:205528DTXCID10294852Benzophenone, 2,2',4-trihydroxy-4'-methoxy-6,6'-dimethyl-DEXKKZDNPAOTED-UHFFFAOYSA-N2,2',4-Trihydroxy-4'-methoxy-6,6'-dimethylbenzophenone(2,4-Dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)methanone(2,4-Dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)methanone #Methanone, (2,4-dihydroxy-6-methylphenyl)(2-hydroxy-4-methoxy-6-methylphenyl)-2,2',4-트리하이드록시-4'-메톡시-6,6'-디메틸벤조페논
데이터베이스 식별자
- CAS
21147-34-2- PubChem CID
- 592137
- DTXSID
DTXSID30343775- Nikkaji
- J108.142J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 372
화학 및 산업
제조 방법
preparation by hydrogenolysis of 2,2′,4′-tris-(benzyloxy)-4-methoxy-6,6′-dimethylbenzophenone (SM) in the presence of 10% Pd/C in ethyl acetate containing concentrated hydrochloric acid (5 drops). SM was obtained by FriedelCrafts acylation of 3,5-bis(benzyloxy)toluene with 2-(benzyloxy) -4- methoxy-6-methylbenzoic acid in the presence of trifluoroacetic anhydride in refluxing ethylene dichloride for 5.
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