3-{7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1148 |
| Compound Name: | 3-{7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C21 H19 Cl O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4131 |
| logD: | 1.9168 |
| logSw: | -4.2606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | NENBDFQKXWUNCK-UHFFFAOYSA-N |