3-heptyl-1-hydroxy-9-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-heptyl-1-hydroxy-9-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-heptyl-1-hydroxy-9-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | 0120-0005 |
| Compound Name: | 3-heptyl-1-hydroxy-9-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C21 H28 O3 |
| Smiles: | CCCCCCCc1cc(c2C3CC(C)CCC=3C(=O)Oc2c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.881 |
| logD: | 6.8481 |
| logSw: | -5.5933 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.629 |
| InChI Key: | LAFXFMCHGBGBDD-CQSZACIVSA-N |