2-(4-tert-부틸-3-히드록시-2,6-디메틸페닐)아세트산

2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid

HCID 20345905

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55699-12-2
표준 SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)O
InChIKey: SZKABAZTVCKJNT-UHFFFAOYSA-N
분자식: C14H20O3
평균 분자량: 236.31 g/mol

이름 및 식별자

우선 이름: 2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid
IUPAC: 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid
현지명: 2-(4-tert-부틸-3-히드록시-2,6-디메틸페닐)아세트산
영어명: 2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid
분자식: C14H20O3
분자량: 236.31

이름 및 동의어

55699-12-22-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetic acidOxymetazoline EP Impurity D2-(4-(tert-Butyl)-3-hydroxy-2,6-dimethylphenyl)acetic acid4-tert-Butyl-2,6-dimethyl-3-hydroxyphenylacetic Acid[4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]acetic AcidOxymetazoline Hydrochloride Imp. D (EP); Oxymetazoline Imp. D (EP); [4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]acetic Acid; Oxymetazoline Hydrochloride Impurity D; Oxymetazoline Impurity D4-t-butyl-2,6-dimethyl-3-hydroxyphenyl acetic acidSCHEMBL11315628SZKABAZTVCKJNT-UHFFFAOYSA-NFCA69912Benzeneacetic acid, 4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethyl-

이름 더 보기

2-(4-tert-부틸-3-히드록시-2,6-디메틸페닐)아세트산Oxymetazoline hydrochloride EP impurity DOxymetazoline EP ImpurityHydroxymethazoline EP Impurity D[4-(1,1-Dimethylethyl)-3-hydroxy-2,Oxymetazoline Hydrochloride Impurity DOxymetazoline Impurity 4（Oxymetazoline EP Impurity D）4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetic Acid

MFCD11100006DB-3167754-tert.-Butyl- 2,6-dimethyl-3-hydroxyphenylacetic acid4-tert.-Butyl-2,6-dimethyl-3-hydroxyphenylacetic acid2-(4-(tert-Butyl)-3-hydroxy-2,6-dimethylphenyl)aceticacid2-(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)acetic acid

데이터베이스 식별자

CAS: 55699-12-2
PubChem CID: 20345905
EC Number: 641-888-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 280

물리화학적 성질

녹는점: 165 · 165-167°C
끓는 점: 370.5 · 370.5±37.0 °C(Predicted)
밀도: 1.101 · 1.101±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.33 · 4.33±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 연한 노란색
주요 응용: 소분자 약용
InChI: 1S/C14H20O3/c1-8-6-11(14(3,4)5)13(17)9(2)10(8)7-12(15)16/h6,17H,7H2,1-5H3,(H,15,16)
InChIKey: SZKABAZTVCKJNT-UHFFFAOYSA-N
SMILES: CC1=C(O)C(C(C)(C)C)=CC(C)=C1CC(O)=O