3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl acetate
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl acetate
3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl acetate
Compound characteristics
| Compound ID: | G856-6258 |
| Compound Name: | 3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl acetate |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C18 H13 Cl O4 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(C)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9041 |
| logD: | 3.9041 |
| logSw: | -4.4335 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.64 |
| InChI Key: | NJTOFBHXTIBYPZ-UHFFFAOYSA-N |