PFL
Summary
| Name: | 2,6-BIS(1-METHYLETHYL)PHENOL |
| Synonyms: | 2,6-DIISOPROPYLPHENOL PROPOFOL |
| Formula: | C12 H18 O |
| Formal charge: | 0 |
| Formula weight: | 178.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,6-bis(1-methylethyl)phenol |
| OpenEye OEToolkits | 1.5.0 | 2,6-di(propan-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1c(cccc1C(C)C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1cccc(C(C)C)c1O |
| SMILES | CACTVS | 3.341 | CC(C)c1cccc(C(C)C)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1cccc(c1O)C(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1cccc(c1O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 |
| InChIKey | InChI | 1.03 | OLBCVFGFOZPWHH-UHFFFAOYSA-N |
