6-chloro-7-[(3,5-dimethylphenyl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[(3,5-dimethylphenyl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
6-chloro-7-[(3,5-dimethylphenyl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3836 |
| Compound Name: | 6-chloro-7-[(3,5-dimethylphenyl)methoxy]-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 342.82 |
| Molecular Formula: | C20 H19 Cl O3 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCc1cc(C)cc(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3586 |
| logD: | 6.3586 |
| logSw: | -6.2911 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4743 |
| InChI Key: | IREVNTKABSIPPK-UHFFFAOYSA-N |