Basic information
- CAS
872258-58-7- Standard SMILES
Cc1cc(O)cc(C)c1-c1ccc(C(F)(F)F)cc1- InChIKey
UAHZCJDIUCCRHT-UHFFFAOYSA-N- Molecular formula
- C15H13F3O
- Average molar mass
- 266.26 g/mol
- Monoisotopic mass
- 266.0918497
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-ol
- IUPAC
- 3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenol
- English name
- 2,6-DIMETHYL-4'-(TRIFLUOROMETHYL)-1,1'-BIPHENYL-4-OL
- Molecular formula
- C15H13F3O
- Molecular weight
- 266.26
Names & synonyms
872258-58-72,6-dimethyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-ol3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenolMFCD099079172,6-dimethyl-4'-trifluoromethyl-biphenyl-4-ol2,6-Dimethyl-4'-(trifluoromethyl)biphenyl-4-olSCHEMBL1765105DTXSID40719285AKOS016013188CS-W004204AS-475852,6-Dimethyl-4'-trifluoromethylbiphenyl-4-ol
Show more names
[1,1'-Biphenyl]-4-ol, 2,6-diMethyl-4'-(trifluoroMethyl)-
F144712,6-Dimethyl-4'-(trifluoromethyl)-4-biphenylolF323235A1-173122,6-Dimethyl-4'-(trifluoromethyl)[1,1'-biphenyl]-4-ol2,6-DIMETHYL-4'-(TRIFLUOROMETHYL)-1,1'-BIPHENYL-4-OL
Database identifiers
- CAS
872258-58-7- PubChem CID
- 56971749
- DTXSID
DTXSID40719285
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 302 · 302.0±37.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.82 · 9.82±0.36(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
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Related reactions
9 records
Compound notes
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