(E)-1-(4-Hydroxyphenyl)-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene
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기본 정보
- CAS
177748-17-3- 표준 SMILES
CC/C(=C(/c1ccc(O)cc1)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccccc1- InChIKey
PPSLXHBJNGQPGG-OCOZRVBESA-N- 분자식
- C27H28O3
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.20384475
이름 및 식별자
- 우선 이름
- (E)-1-(4-Hydroxyphenyl)-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene
- IUPAC
- [4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
- 영어명
- (E)-1-(4-HYDROXYPHENYL)-1-[4-(TRIMETHYLACETOXY)PHENYL]-2-PHENYLBUT-1-ENE
- 분자식
- C27H28O3
- 분자량
- 400.51
이름 및 동의어
177748-17-3(E)-1-(4-HYDROXYPHENYL)-1-[4-(TRIMETHYLACETOXY)PHENYL]-2-PHENYLBUT-1-ENE364635-60-9(E/Z)-1-(4-Hydroxyphenyl)-1-[4-(trimethylacetoxy)phenyl]-2-phenylbut-1-ene[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate(E)-4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl pivalateMFCD041161724-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate4-[(1E)-1-(4-HYDROXYPHENYL)-2-PHENYLBUT-1-EN-1-YL]PHENYL 2,2-DIMETHYLPROPANOATE(E)-2,2-Dimethyl-propanoic Acid 4-[1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl Ester;SCHEMBL639544CHEMBL2386287
이름 더 보기
186790(E)-4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate(WXC07047)(E)-2,2-DiMethyl-propanoic Acid 4-[1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl EsterPropanoic acid, 2,2-dimethyl-, 4-[1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenyl ester, (E)- (9CI)
C27H28O3AKOS025294737AS-72953SY125832DB-290073W15708(E)-4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenylpivalate(E)-4-[1-(4-Hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenyl Pivalate
데이터베이스 식별자
- CAS
177748-17-3- PubChem CID
- 6026493
- ChEMBL
CHEMBL2386287
물성
구조 계산 물성보충 중
- XLogP
- 7.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 녹는점
- 171 · 171-173°C
- 끓는 점
- 509.3 · 509.3±40.0 °C(Predicted)
- 밀도
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.25 · 10.25±0.15(Predicted)
- 색상
- 회백색
화학적 성질
Off-White Solid
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