4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol

C15H21F3O — CID 126701429

IUPAC4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1O
InChIInChI=1S/C15H21F3O/c1-9-7-10(13(2,3)4)8-11(12(9)19)14(5,6)15(16,17)18/h7-8,19H,1-6H3
InChIKeyWGIABGOQLVMVOB-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.84
Rot. Bonds1

About 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol

4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol (PubChem CID 126701429) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
PubChem CID126701429
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1O
InChIInChI=1S/C15H21F3O/c1-9-7-10(13(2,3)4)8-11(12(9)19)14(5,6)15(16,17)18/h7-8,19H,1-6H3
InChIKeyWGIABGOQLVMVOB-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
CID 135046337
CID 135046337
2-tert-butyl-4,6-dimethylphenol
CID 87814182
4-tert-butyl-2,6-dimethylphenol;octa-2,4,6-triyne;hydrate
CID 157373882
4-tert-butyl-2-methyl-6-[2-(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]phenol
CID 89214517
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol
CID 118535872
4-tert-butyl-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)disulfanyl]-6-methylphenol
CID 12712019
2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenol
CID 87143094
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The IUPAC name of 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol (CID 126701429) is 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol is Cc1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1O.
What is the InChIKey of 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The InChIKey is WGIABGOQLVMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-9-7-10(13(2,3)4)8-11(12(9)19)14(5,6)15(16,17)18/h7-8,19H,1-6H3.
What are the key properties of 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol has a molecular weight of 274.33 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 126701429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).