{7-[(2-chloro-4-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Chemical Structure Depiction of
{7-[(2-chloro-4-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
{7-[(2-chloro-4-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Compound characteristics
| Compound ID: | D715-0241 |
| Compound Name: | {7-[(2-chloro-4-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid |
| Molecular Weight: | 390.79 |
| Molecular Formula: | C20 H16 Cl F O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.3673 |
| logD: | 0.9086 |
| logSw: | -4.3487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | KJEDXPLVXJMUND-UHFFFAOYSA-N |