CAS 4047-24-9 1-[2-(Benzyloxy)-6-hydroxyphenyl]ethan-1-one (HCID 2775187)

기본 정보

CAS: 4047-24-9
표준 SMILES: CC(=O)c1c(O)cccc1OCc1ccccc1
InChIKey: JLKWVASSCBEYTE-UHFFFAOYSA-N
분자식: C15H14O3
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.09429431

이름 및 식별자

우선 이름: 1-[2-(Benzyloxy)-6-hydroxyphenyl]ethan-1-one
IUPAC: 1-(2-hydroxy-6-phenylmethoxyphenyl)ethanone
현지명: 1-[2-(벤질록시)-6-하이드록시페닐]에탄-1-원
영어명: 1-[2-(Benzyloxy)-6-hydroxyphenyl]ethan-1-one
분자식: C15H14O3
분자량: 242.27

이름 및 동의어

4047-24-91-[2-(Benzyloxy)-6-hydroxyphenyl]ethan-1-one1-(2-(Benzyloxy)-6-hydroxyphenyl)ethanone1-(2-hydroxy-6-phenylmethoxyphenyl)ethanone1-(2-(benzyloxy)-6-hydroxyphenyl)ethan-1-oneMFCD001006202'-Benzyloxy-6'-hydroxyacetophenoneSCHEMBL1728168CHEMBL3274354SCHEMBL30892463DTXSID20379442JLKWVASSCBEYTE-UHFFFAOYSA-N

이름 더 보기

1-[2-(벤질록시)-6-하이드록시페닐]에탄-1-원Populneol1-[2-Hydroxy-6-(benzyloxy)phenyl]ethanone1-[2-Hydroxy-6-(phenylmethoxy)phenyl]ethanoneEthanone, 1-[2-hydroxy-6-(phenylmethoxy)phenyl]-

AKOS0159950036'-(Benzyloxy)-2'-hydroxyacetophenone1-(2-benzyloxy-6-hydroxy-phenyl)ethanone1-(2-Benzyloxy-6-hydroxyphenyl)-ethanoneDB-126451CS-0357596

데이터베이스 식별자

CAS: 4047-24-9
PubChem CID: 2775187
DTXSID: DTXSID20379442
ChEMBL: CHEMBL3274354
Nikkaji: J13.232B

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 109 °C · 109 °C
저장 조건: 2 · 2-8°C

안전 및 규제

안전 데이터

HS 번호: 2914500090
hazard_code: Xi

화학 및 산업

제조 방법 · 1건

Preparation by reaction of benzyl chloride with 2,6-dihydroxyacetophenone, in the presence of potassium carbonate in refluxing acetone; in the presence of potassium carbonate and potassium iodide in refluxing acetone for 18 h (40%); in the presence of 15% aqueous sodium hydroxide, by heating in a water bath(67%).