6-methyl-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
6-methyl-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
6-methyl-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 5596-0283 |
| Compound Name: | 6-methyl-7-[(3-methylphenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C21 H20 O3 |
| Smiles: | Cc1cccc(COc2ccc3C4CCCC=4C(=O)Oc3c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0849 |
| logD: | 5.0849 |
| logSw: | -5.0086 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4451 |
| InChI Key: | PZTHQMPLDZTMQC-UHFFFAOYSA-N |