MR4
Summary
| Name: | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL |
| Formula: | C15 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 239.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol |
| OpenEye OEToolkits | 1.5.0 | 4-(1,3-benzoxazol-2-yl)-2,6-dimethyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c3ccccc3oc1c2cc(c(O)c(c2)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(cc(C)c1O)c2oc3ccccc3n2 |
| SMILES | CACTVS | 3.341 | Cc1cc(cc(C)c1O)c2oc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)c2nc3ccccc3o2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)c2nc3ccccc3o2 |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3 |
| InChIKey | InChI | 1.03 | NORYHCMDDBZXDX-UHFFFAOYSA-N |
