DDC
Summary
| Name: | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE |
| Synonyms: | 5,4'-DIDEOXYFLAVANONE |
| 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)-7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | (2S)-7-hydroxy-2-phenyl-chroman-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.341 | Oc1ccc2C(=O)C[CH](Oc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | SWAJPHCXKPCPQZ-AWEZNQCLSA-N |
