4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Chemical Structure Depiction of
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | Y040-2167 |
| Compound Name: | 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0126 |
| logD: | 5.0126 |
| logSw: | -4.866 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.338 |
| InChI Key: | XVSGVTSEFIJIAW-UHFFFAOYSA-N |