3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-3901 |
| Compound Name: | 3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C25 H22 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9576 |
| logD: | 2.4613 |
| logSw: | -5.2971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.271 |
| InChI Key: | WQSKWWYKQGVQLB-UHFFFAOYSA-N |