3-{4-methyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-3970 |
| Compound Name: | 3-{4-methyl-7-[(2-methylnaphthalen-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)Oc2cc(ccc12)OCc1c(C)ccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1036 |
| logD: | 2.6073 |
| logSw: | -5.7957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.5 |
| InChI Key: | QNGUBXKJUIGLQH-UHFFFAOYSA-N |