2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol

C15H23NO2 — CID 14091766

IUPAC2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol
SMILESCc1cc(C(C)(C)C)c(O)c(C2(C)NCCO2)c1
InChIInChI=1S/C15H23NO2/c1-10-8-11(14(2,3)4)13(17)12(9-10)15(5)16-6-7-18-15/h8-9,16-17H,6-7H2,1-5H3
InChIKeyGVQQYLYKWJNKRH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds1

About 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol

2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol (PubChem CID 14091766) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol
PubChem CID14091766
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol
SMILESCc1cc(C(C)(C)C)c(O)c(C2(C)NCCO2)c1
InChIInChI=1S/C15H23NO2/c1-10-8-11(14(2,3)4)13(17)12(9-10)15(5)16-6-7-18-15/h8-9,16-17H,6-7H2,1-5H3
InChIKeyGVQQYLYKWJNKRH-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-(1-isocyanatocyclobutyl)-4-methylphenol
CID 117402312
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;hydroxy(oxo)phosphanium
CID 135147079
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol (CID 14091766) is 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol is Cc1cc(C(C)(C)C)c(O)c(C2(C)NCCO2)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol?
The InChIKey is GVQQYLYKWJNKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-11(14(2,3)4)13(17)12(9-10)15(5)16-6-7-18-15/h8-9,16-17H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol?
2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol has a molecular weight of 249.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-(2-methyl-1,3-oxazolidin-2-yl)phenol is sourced from PubChem (CID 14091766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).