Demethylencecalin
Representations & DB's id
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| ChEBI: | CHEBI:4936 | |
|---|---|---|
| ChEMBL: | CHEMBL443462 | |
| PubChem: | 100768 | |
| IUPAC: | 1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone | |
| Standard InChI: | InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3 | |
| Standard InChI Key: | SVUVYHFYZBCYRF-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1cc2C=CC(Oc2cc1O)(C)C | |
Molecular propeties
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| AlogP: | 2.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 218.09 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.308 | |
| Number of carbons: | 13 | |