3-benzyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2006 |
| Compound Name: | 3-benzyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C26 H22 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1401 |
| logD: | 5.1401 |
| logSw: | -5.2094 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.907 |
| InChI Key: | PZEQQXWOZXGRGT-UHFFFAOYSA-N |