V39
Summary
| Name: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol |
| Formula: | C14 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 245.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol |
| OpenEye OEToolkits | 2.0.7 | 3-[[6-(hydroxymethyl)pyridin-2-yl]methoxy]-2-methyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(cccc1O)OCc2cccc(n2)CO |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO3/c1-10-13(17)6-3-7-14(10)18-9-12-5-2-4-11(8-16)15-12/h2-7,16-17H,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | ABSPMLLMAMTEDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)cccc1OCc2cccc(CO)n2 |
| SMILES | CACTVS | 3.385 | Cc1c(O)cccc1OCc2cccc(CO)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OCc2cccc(n2)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OCc2cccc(n2)CO)O |
