1-(2-羟基苯基)-3-(4-羟基苯基)丙-2-烯-1-酮

• 常用名: 1-(2-羟基苯基)-3-(4-羟基苯基)丙-2-烯-1-酮
• 英文名: 2-Propen-1-one,1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)
• CAS号: 13323-66-5
• 分子量: 240.25400
• 密度: 1.286g/cm3
• 沸点: 445.5ºC at 760 mmHg
• 分子式: C₁₅H₁₂O₃
• 熔点: N/A
• 闪点: 237.4ºC

名称

• 中文名: 2’,4-二羟基查耳酮
• 英文名: (E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• 中文别名: 1-(2-羟基苯基)-3-(4-羟基苯基)-2-1-丙酮 | 2',4-二羟基查耳酮

物理化学性质

• 密度: 1.286g/cm3
• 沸点: 445.5ºC at 760 mmHg
• 分子式: C₁₅H₁₂O₃
• 分子量: 240.25400
• 闪点: 237.4ºC
• 精确质量: 240.07900
• PSA: 57.53000
• LogP: 2.99390
• InChIKey: FGPJTMCJNPRZGF-JXMROGBWSA-N
• SMILES: O=C(C=Cc1ccc(O)cc1)c1ccccc1O
• 蒸汽压: 1.49E-08mmHg at 25°C
• 折射率: 1.684
• 储存条件: 2-8°C，干燥，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:24

  6.拓扑分子极性表面积:57.5

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:303

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2914501900

海关

• 海关编码: 2914501900
• 中文概述: 2914501900 其他酮酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
• 申报要素: 品名, 成分含量, 用途, 丙酮报明包装
• Summary: 2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

靶点实验

查看更多实验

实验名称：ERK5 transcriptional activity HTS 来源：24565 靶标：N/A External Id：ERK5 transcriptional activity-HTS

实验名称：Antioxidant activity assessed as ABTS free radical scavenging activity by measuring t... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4044311

实验名称：Antioxidant activity assessed as DPPH free radical scavenging activity incubated for ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4044312

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Spectrum HTS for Inhibitors of Aerobactin Synthetase IucA 来源：23265 靶标：IucA Synthetase from hypervirulent Klebsiella pneumoniae hvKP1 External Id：IucA Pilot Assay Spectrum Library

实验名称：Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL763066

实验名称：The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre... 来源：11924 靶标：N/A External Id：CGM data for Cell Systems paper Dec 2015

实验名称：Inhibition of bovine milk xanthine oxidase pre-incubated for 30 mins followed by xant... 来源：ChEMBL 靶标：Xanthine dehydrogenase/oxidase External Id：CHEMBL4044308

实验名称：qHTS for Inhibitors of binding or entry into cells for Marburg Virus 来源：NCGC 靶标：gene 4 small orf - Marburg virus External Id：VSVM-OFFLINE

共59条，当前第1页，共6页

1

2

3

4

5

英文别名

• 2',4-Dihydroxychalcone
• 4,2'-dihydroxychalcone
• 2',4-dihydroxyflavanone