A1ABL
Summary
| Name: | {2-[(oxan-4-yl)oxy]phenyl}methanol |
| Formula: | C12 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[(oxan-4-yl)oxy]phenyl}methanol |
| OpenEye OEToolkits | 2.0.7 | [2-(oxan-4-yloxy)phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc1ccccc1OC1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H16O3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11,13H,5-9H2 |
| InChIKey | InChI | 1.06 | RMRHXMQGVDIPCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccccc1OC2CCOCC2 |
| SMILES | CACTVS | 3.385 | OCc1ccccc1OC2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CO)OC2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CO)OC2CCOCC2 |
