DFL
Summary
| Name: | 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE |
| Synonyms: | 4'-HYDROXYFLAVANONE |
| Formula: | C15 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 240.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(4-hydroxyphenyl)chroman-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)[CH]2CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | ZLHVIYHWWQYJID-HNNXBMFYSA-N |
