3-{4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1130 |
| Compound Name: | 3-{4-methyl-7-[(3-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)OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0597 |
| logD: | 1.5634 |
| logSw: | -4.3051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | URRJQTBXKJVPNP-UHFFFAOYSA-N |