4'-ベンジルオキシ-2'-ヒドロキシアセトフェノン

4'-Benzyloxy-2'-hydroxyacetophenone

HCID 309257

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 29682-12-0
標準SMILES: CC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
分子式: C15H14O3
平均分子量: 242.27 g/mol
単同位体質量: 242.09429431

名称と識別子

優先名称: 4'-Benzyloxy-2'-hydroxyacetophenone
IUPAC: 1-(2-hydroxy-4-phenylmethoxyphenyl)ethanone
現地名: 4'-ベンジルオキシ-2'-ヒドロキシアセトフェノン
英語名: 4'-Benzyloxy-2'-hydroxyacetophenone
分子式: C15H14O3
分子量: 242.27

名称と別名

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

名称をさらに表示

4'-ベンジルオキシ-2'-ヒドロキシアセトフェノン2-ヒドロキシ-4-ベンジルオキシアセトフェノン4-ベンジルオキシ-2-ヒドロキシアセトフェノン4′-ベンジルオキシ-2′-ヒドロキシアセトフェノンVDUP1-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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.5
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 271

物理化学的性質

融点: 104 · 104-106°C
沸点: 415.7 · 415.7±30.0 °C(Predicted)
比重(密度): 1.187 · 1.187±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly, Heated)
酸解離定数(Pka): 9.79 · 9.79±0.10(Predicted)
外見: powder to crystal
色: 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

化学的性質

化学的特性White Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.