3-{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y043-8488 |
| Compound Name: | 3-{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C25 H28 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1c(C)c(C)c(C)c(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.7713 |
| logD: | 3.2751 |
| logSw: | -5.4212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | JFJPTKMCCOZELF-UHFFFAOYSA-N |