B78
Summary
| Name: | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine |
| Formula: | C14 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 229.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine |
| OpenEye OEToolkits | 1.6.1 | 4-[(5-methoxy-2-methyl-phenoxy)methyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O(c1cc(OC)ccc1C)Cc2ccncc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(C)c(OCc2ccncc2)c1 |
| SMILES | CACTVS | 3.352 | COc1ccc(C)c(OCc2ccncc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1OCc2ccncc2)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1OCc2ccncc2)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | MBHBRRBLXCXQKV-UHFFFAOYSA-N |
