A1CR0
Summary
| Name: | 4,4'-[(pyridin-2-yl)methylene]diphenol |
| Formula: | C18 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 277.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4,4'-[(pyridin-2-yl)methylene]diphenol |
| OpenEye OEToolkits | 3.1.0.0 | 4-[(4-hydroxyphenyl)-pyridin-2-yl-methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc(cc1)C(c1ccc(O)cc1)c1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H |
| InChIKey | InChI | 1.06 | LJROKJGQSPMTKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccn3 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O |
