{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetic acid
Chemical Structure Depiction of
{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetic acid
{4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetic acid
Compound characteristics
| Compound ID: | Y040-2596 |
| Compound Name: | {4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetic acid |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C24 H26 O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2cc(ccc12)OCc1c(C)c(C)c(C)c(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.4846 |
| logD: | 2.0259 |
| logSw: | -5.4353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | INOSPZAMIUOTJX-UHFFFAOYSA-N |