G68
Summary
Name: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol |
Formula: | C16 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 255.312 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2 |
InChIKey | InChI | 1.03 | JWOOVEVAKYLUGG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2cccc(n2)C3CCOCC3 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2cccc(n2)C3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 |