4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-methylbenzoate
Chemical Structure Depiction of
4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-methylbenzoate
4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | Y040-3959 |
| Compound Name: | 4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 4-methylbenzoate |
| Molecular Weight: | 308.33 |
| Molecular Formula: | C19 H16 O4 |
| Smiles: | CC1=CC(=O)Oc2cc(C)cc(c12)OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2482 |
| logD: | 4.2482 |
| logSw: | -4.5259 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.11 |
| InChI Key: | XEMZHVYIBTWSGF-UHFFFAOYSA-N |