9-butoxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
9-butoxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
9-butoxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-0842 |
| Compound Name: | 9-butoxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C17 H20 O3 |
| Smiles: | CCCCOc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.5311 |
| logD: | 4.5311 |
| logSw: | -4.5324 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.951 |
| InChI Key: | KZLVJYGSRRDSBV-UHFFFAOYSA-N |