4-butyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Chemical Structure Depiction of
4-butyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
4-butyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | Y040-2146 |
| Compound Name: | 4-butyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4096 |
| logD: | 4.4096 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.567 |
| InChI Key: | ZBNZKORPWHUGLH-UHFFFAOYSA-N |