3-benzyl-5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
3-benzyl-5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-7243 |
| Compound Name: | 3-benzyl-5-[(2-chloro-4-fluorophenyl)methoxy]-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 422.88 |
| Molecular Formula: | C25 H20 Cl F O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.9088 |
| logD: | 6.9088 |
| logSw: | -6.5287 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2027 |
| InChI Key: | PMNXTHKNBVDKMD-UHFFFAOYSA-N |