CAS 87771-41-3 1-(3-(1-Hydroxy-1-methylethyl)phenyl)ethanone (HCID 13531419)

기본 정보

CAS: 87771-41-3
표준 SMILES: CC(=O)c1cccc(C(C)(C)O)c1
InChIKey: MNEFLNSJCTVLTJ-UHFFFAOYSA-N
분자식: C11H14O2
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.09937969

이름 및 식별자

우선 이름: 1-(3-(1-Hydroxy-1-methylethyl)phenyl)ethanone
IUPAC: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
현지명: 1-[3-(2-하이드록시프로판-2-일)페닐]에타논
영어명: 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
분자식: C11H14O2
분자량: 178.23

이름 및 동의어

87771-41-3RefChem:10541161-(3-(1-Hydroxy-1-methylethyl)phenyl)ethanone1-(3-(2-hydroxypropan-2-yl)phenyl)ethanoneEthanone, 1-[3-(1-hydroxy-1-methylethyl)phenyl]-1-[3-(2-hydroxypropan-2-yl)phenyl]ethanoneMFCD001346831-[3-(2-Hydroxypropan-2-yl)phenyl]ethan-1-oneSCHEMBL548539DTXSID405431231-(3-(2-Hydroxypropan-2-yl)phenyl)ethan-1-oneAS-67628

이름 더 보기

1-[3-(2-하이드록시프로판-2-일)페닐]에타논1-[3-(1-Hydroxy-1-methylethyl)phenyl]ethanone1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone - [H92825]

CS-03561711-[3-(1-Hydroxy-1-methylethyl)phenyl]-ethanone1-[3-(1-Hydroxy-1-methylethyl)phenyl]ethanone; 1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone; 1-[3-(2-Hydroxypropan-2-yl)phenyl]ethan-1-one;AMY18639Fenofibrate Impurity 32MNEFLNSJCTVLTJ-UHFFFAOYSA-Nm-(2-hydroxy-2-propyl)acetophenoneAKOS025296096

데이터베이스 식별자

CAS: 87771-41-3
PubChem CID: 13531419
DTXSID: DTXSID40543123
Nikkaji: J30.897H

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 47 · 47 - 50 oC
끓는 점: 276.2 · 276.2±15.0 °C(Predicted)
밀도: 1.056 · 1.056±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.2 · 14.20±0.29(Predicted)
물리적 상태: 고체
색상: 황백색에서 연한 노란색

안전 및 규제

안전 데이터

HS 번호: 2906290090

화학 및 산업

응용 분야

용도1-(3-(2-Hydroxypropan-2-yl)phenyl)ethanone is a useful reagent for the synthesis of bioactive small molecules with multiple biological applications.