QBF
Summary
| Name: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol |
| Synonyms: | propanol syringol |
| Formula: | C11 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 212.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.06 | PHOPGVYKZWPIGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCCO)cc(OC)c1O |
| SMILES | CACTVS | 3.385 | COc1cc(CCCO)cc(OC)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(cc(c1O)OC)CCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(cc(c1O)OC)CCCO |
