3-{7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1134 |
| Compound Name: | 3-{7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C22 H22 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6637 |
| logD: | 2.1674 |
| logSw: | -4.5562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | RAFUHJJIJRVEJH-UHFFFAOYSA-N |