4'-벤질옥시-2'-하이드록시아세토페논

4'-Benzyloxy-2'-hydroxyacetophenone

HCID 309257CAS 29682-12-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
분자식: C15H14O3
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.09429431

이름 및 식별자

우선 이름: 4'-Benzyloxy-2'-hydroxyacetophenone
IUPAC: 1-(2-hydroxy-4-phenylmethoxyphenyl)ethanone
현지명: 4'-벤질옥시-2'-하이드록시아세토페논
영어명: 4'-Benzyloxy-2'-hydroxyacetophenone
분자식: C15H14O3
분자량: 242.27

이름 및 동의어

4'-Benzyloxy-2'-hydroxyacetophenoneDTXSID40309246RefChem:505980DTXCID30260372660-190-129682-12-01-(4-(benzyloxy)-2-hydroxyphenyl)ethanone4-Benzyloxy-2-hydroxyacetophenoneMFCD000546121-(2-hydroxy-4-phenylmethoxyphenyl)ethanoneEthanone, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-2-HYDROXY-4-BENZYLOXYACETOPHENONE

이름 더 보기

4'-벤질옥시-2'-하이드록시아세토페논VDUP1-THIF)ARRDC6HHCPA78EST01027NSC 2114605-Diacetate-Bromohymenin-(Amino-κ-Thiothymidine

1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone1-[4-(benzyloxy)-2-hydroxyphenyl]ethan-1-one1-(4-Benzyloxy-2-hydroxyphenyl)ethanoneCHEMBL55694891-[2-hydroxy-4-(phenylmethoxy)phenyl]ethanone(5alpha,17beta)-3-Oxo-4-azaandrost-1-ene-17-carboxamide1-(4-(benzyloxy)-2-hydroxyphenyl)ethan-1-one1-[2-Hydroxy-4-(phenylmethoxy)phenyl]-ethanone

데이터베이스 식별자

CAS: 29682-12-0
PubChem CID: 309257
DTXSID: DTXSID40309246
ChEMBL: CHEMBL5569489
EC Number: 660-190-1
Nikkaji: J183.666H

물성

구조 계산 물성

XLogP: 3.5
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: 104 · 104-106°C
끓는 점: 415.7 · 415.7±30.0 °C(Predicted)
밀도: 1.187 · 1.187±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열)
산도 계수 (pKa): 9.79 · 9.79±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Light yellow to Dark green
InChI: InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(OCC2=CC=CC=C2)C=C1O)C

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.