A9V
Summary
| Name: | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol |
| Formula: | C16 H24 O3 |
| Formal charge: | 0 |
| Formula weight: | 264.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol |
| OpenEye OEToolkits | 1.9.2 | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1cccc(c1)OCC2CCCCC2)CCO |
| InChI | InChI | 1.03 | InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | JEPZJYPEDPLQFU-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@@H](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES | CACTVS | 3.385 | OCC[CH](O)c1cccc(OCC2CCCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)OCC2CCCCC2)C(CCO)O |
