2'-羟基-4,4'-二甲氧基查耳酮 | 2198-19-8
2'-羟基-4,4'-二甲氧基查耳酮
4,4'-Dimethoxy-2'-Hydroxychalcone
2198-19-8
C17H16O4
284.30654
名称和标识符
InChIKey |
OAAPAFSEMHJNTF-BJMVGYQFSA-N |
Inchi |
InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+ |
SMILES |
COC1=CC=C(/C=C/C(C2=CC=C(OC)C=C2O)=O)C=C1 |
别名信息
- 英文别名 -
- 2-Propen-1-one,1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-
- 1-(2-HYDROXY-4-METHOXYPHENYL)-3-(4-METHOXYPHENYL)-2-PROPEN-1-ONE
- 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- 1-(2-hydroxy-4-methoxy-phenyl)-3-(4-methoxy-phenyl)-propenone
- 1-(2-Hydroxy-4-methoxyphenyl)-3-(p-methoxyphenyl)-2-propene-1-one
- 2'-hydroxy-4,4'-dimethoxy-trans-chalcone
- 4,4'-Dimethoxy-2'-hydroxychalcone
- isoliquiritigenin-4,4'-dimeth
- 2''-hydroxy-4,4''-dimethoxychalcone
- Isoliquiritigenin 4,4'-dimethyl ether
- CHEMBL229907
- MFCD00098911
- NSC-78638
- 4,4'-dimethoxy-2'-hydroxychalcone
- NCGC00090537-01
- HMS2206A19
- BDBM50213232
- AE-641/01149036
- (2E)-1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one #
- 4,4'-Dimethoxy-2'-hydroxychalcone, AldrichCPR
- OAAPAFSEMHJNTF-BJMVGYQFSA-N
- NSC 78638
- (E)-1-(2-hydroxy-4-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- 1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
- 2-Hydroxy-4-methoxy-alpha-(p-methoxybenzylidene)acetophenone
- CMLD3_000158
- LMPK12120100
- SMR000112982
- SCHEMBL634186
- CHEBI:184704
- AKOS002385545
- 2'-Hydroxy-4,4'-dimethoxychalcone
- 2198-19-8
- MLS000438960
- 2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-
- NSC78638
- 4,4'-Methoxy-2'-hydroxychalcone
- HMS3331B03
- NCIOpen2_004362
- DTXSID301347058
- 6'-hydroxy-4,4'-dimethoxychalcone
物化性质
实验特性
LogP |
3.30550 |
PSA |
55.76 |
折射率 |
1.614 |
沸点 |
499.6°Cat760mmHg |
闪点 |
185.5°C |
密度 |
1.203 |
计算特性
精确分子量 |
284.10488 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
5 |
同位素质量 |
284.104859 |
重原子数量 |
21 |
复杂度 |
358 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
1 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4 |
拓扑分子极性表面积 |
55.8 |