A64
Summary
| Name: | 4'-ISOPROPYLFLAVONE |
| Formula: | C18 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one |
| OpenEye OEToolkits | 1.9.2 | 2-(4-propan-2-ylphenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2ccc(cc2)C(C)C)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3 |
| InChIKey | InChI | 1.03 | PYTOHIUBXSJKQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
