4H-1-苯并吡喃-4-酮,2-(3,4-二羟基苯基)-7-羟基-5-甲氧基- | 58115-29-0
4H-1-苯并吡喃-4-酮,2-(3,4-二羟基苯基)-7-羟基-5-甲氧基-
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-
58115-29-0
C16H12O6
300.26300
名称和标识符
MDL |
MFCD18451060 |
InChIKey |
OZPMKAZMPNDLKX-UHFFFAOYSA-N |
Inchi |
InChI=1S/C16H12O6/c1-21-14-5-9(17)6-15-16(14)12(20)7-13(22-15)8-2-3-10(18)11(19)4-8/h2-7,17-19H,1H3 |
SMILES |
COC1C=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C=12 |
别名信息
- 英文别名 -
- 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-
- 3',4',7-trihydroxy-5-methoxyflavone
- 7,3',4'-trihydroxy-5-methoxyflavone
- Luteolin 5-methyl ether
- 3?,4?,7-TRIHYDROXY-5-METHOXYFLAVONE
- SCHEMBL2322974
- AKOS028113903
- 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one
- 5-O-methylluteolin
- LMPK12110965
- 58115-29-0
- SY252782
- MFCD18451060
- 3',4',7-Trihydroxy-5-methoxyflavone
- 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-meth-oxy-4H-chromen-4-one
- AC9656
- DTXSID00553400
- 3 inverted exclamation mark ,4 inverted exclamation mark ,7-Trihydroxy-5-methoxyflavone
- CHEMBL1277701
- BDBM50330971
- 2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-1-benzopyran-4-one
物化性质
实验特性
LogP |
2.58540 |
PSA |
100.13000 |
沸点 |
631.9±55.0 °C at 760 mmHg |
蒸气压 |
0.0±1.9 mmHg at 25°C |
闪点 |
242.0±25.0 °C |
颜色与性状 |
Yellow powder |
密度 |
1.5±0.1 g/cm3 |
计算特性
精确分子量 |
300.06300 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
2 |
同位素质量 |
300.06338810g/mol |
重原子数量 |
22 |
复杂度 |
462 |
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 |
0 |
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) |
1.2 |
拓扑分子极性表面积 |
96.2Ų |