583
Summary
| Name: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol |
| Formula: | C15 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 252.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-(1H-pyrazole-3,4-diyl)diphenol |
| OpenEye OEToolkits | 1.9.2 | 4-[3-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(nnc1)c2ccc(O)cc2)c3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O2/c18-12-5-1-10(2-6-12)14-9-16-17-15(14)11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17) |
| InChIKey | InChI | 1.03 | FHGTUVGVZRNUDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)c2c[nH]nc2c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2c[nH]nc2c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O |
