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 |