3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-methylbenzoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-methylbenzoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | 4358-3619 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-methylbenzoate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C25 H20 O5 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc2C(C(=COc2c1)Oc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4641 |
| logD: | 5.4641 |
| logSw: | -5.5654 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.034 |
| InChI Key: | OBACGZAKRYNSRM-UHFFFAOYSA-N |