4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Chemical Structure Depiction of
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid
Compound characteristics
| Compound ID: | 4986-1269 |
| Compound Name: | 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-5-methylfuran-2-carboxylic acid |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C25 H22 O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1cc(C(O)=O)oc1C |
| Stereo: | ACHIRAL |
| logP: | 4.6851 |
| logD: | 1.3949 |
| logSw: | -4.5852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.621 |
| InChI Key: | HKRDZMUHEKIBNW-UHFFFAOYSA-N |