3-{4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-0606 |
| Compound Name: | 3-{4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7866 |
| logD: | 1.2903 |
| logSw: | -3.9867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | QBOYKMRHZSIOIO-UHFFFAOYSA-N |