6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2H-1-benzopyran-2-one
6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6931 |
| Compound Name: | 6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 314.77 |
| Molecular Formula: | C18 H15 Cl O3 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1665 |
| logD: | 5.1665 |
| logSw: | -5.4602 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.9599 |
| InChI Key: | XTWUBRHAVLHQGS-UHFFFAOYSA-N |