2,6-ditert-butyl-4-methylphenol;methanol

C16H28O2 — CID 161478470

IUPAC2,6-ditert-butyl-4-methylphenol;methanol
SMILESCO.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.CH4O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-2/h8-9,16H,1-7H3;2H,1H3
InChIKeyWEANCXGTERKLHG-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.90
Rot. Bonds

About 2,6-ditert-butyl-4-methylphenol;methanol

2,6-ditert-butyl-4-methylphenol;methanol (PubChem CID 161478470) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;methanol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;methanol
PubChem CID161478470
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2,6-ditert-butyl-4-methylphenol;methanol
SMILESCO.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.CH4O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-2/h8-9,16H,1-7H3;2H,1H3
InChIKeyWEANCXGTERKLHG-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;methanol?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;methanol (CID 161478470) is 2,6-ditert-butyl-4-methylphenol;methanol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;methanol?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;methanol is CO.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;methanol?
The InChIKey is WEANCXGTERKLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.CH4O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-2/h8-9,16H,1-7H3;2H,1H3.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;methanol?
2,6-ditert-butyl-4-methylphenol;methanol has a molecular weight of 252.40 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylphenol;methanol is sourced from PubChem (CID 161478470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).