9-[(2,5-dimethylphenyl)methoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
9-[(2,5-dimethylphenyl)methoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
9-[(2,5-dimethylphenyl)methoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-0826 |
| Compound Name: | 9-[(2,5-dimethylphenyl)methoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C22 H22 O3 |
| Smiles: | Cc1ccc(C)c(COc2cc(C)cc3c2C2CCCC=2C(=O)O3)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.593 |
| logD: | 5.593 |
| logSw: | -5.4009 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7609 |
| InChI Key: | KHFREOSBXIGMMN-UHFFFAOYSA-N |