A63
Summary
| Name: | 2-(4-methoxyphenyl)-4H-chromen-4-one |
| Formula: | C16 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-methoxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-(4-methoxyphenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2ccc(OC)cc2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3 |
| InChIKey | InChI | 1.03 | OMICQBVLCVRFGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
