(2-Methyl-4-Oxo-3-Phenylchromen-7-Yl) Acetate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL243089 | |
| PubChem: | 268208 | |
| IUPAC: | (2-methyl-4-oxo-3-phenylchromen-7-yl) acetate | |
| Standard InChI: | InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3 | |
| Standard InChI Key: | DPIAJERHFDBLPT-UHFFFAOYSA-N | |
| SMILES: | CC(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C | |
Molecular propeties
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| AlogP: | 3.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 294.09 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 18 | |