4-methyl-3-(2-oxopropoxy)-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
4-methyl-3-(2-oxopropoxy)-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
4-methyl-3-(2-oxopropoxy)-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y040-0872 |
| Compound Name: | 4-methyl-3-(2-oxopropoxy)-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 300.35 |
| Molecular Formula: | C18 H20 O4 |
| Smiles: | CC(COc1ccc2C3CCCCCC=3C(=O)Oc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5132 |
| logD: | 3.5132 |
| logSw: | -3.5369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.017 |
| InChI Key: | AKNVPVLDNRMSGG-UHFFFAOYSA-N |