methyl [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
methyl [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
methyl [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | 4182-0084 |
| Compound Name: | methyl [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C17 H20 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.286 |
| logD: | 3.286 |
| logSw: | -3.6873 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.495 |
| InChI Key: | PFJUWTMUQVMBKG-UHFFFAOYSA-N |