3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-3977 |
| Compound Name: | 3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 421.28 |
| Molecular Formula: | C21 H18 Cl2 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3053 |
| logD: | 2.8091 |
| logSw: | -5.4838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | PKOWHHVCTXWLDO-UHFFFAOYSA-N |