2-tert-butyl-4,6-dimethylphenol

C12H18O — CID 15884

IUPAC2-tert-butyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
InChIKeyOPLCSTZDXXUYDU-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.31
Rot. Bonds

About 2-tert-butyl-4,6-dimethylphenol

2-tert-butyl-4,6-dimethylphenol (PubChem CID 15884) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dimethylphenol.

Molecular Properties

Compound Name2-tert-butyl-4,6-dimethylphenol
PubChem CID15884
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-tert-butyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
InChIKeyOPLCSTZDXXUYDU-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dimethylphenol?
The IUPAC name of 2-tert-butyl-4,6-dimethylphenol (CID 15884) is 2-tert-butyl-4,6-dimethylphenol.
What is the SMILES notation for 2-tert-butyl-4,6-dimethylphenol?
The canonical SMILES for 2-tert-butyl-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4,6-dimethylphenol?
The InChIKey is OPLCSTZDXXUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3.
What are the key properties of 2-tert-butyl-4,6-dimethylphenol?
2-tert-butyl-4,6-dimethylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dimethylphenol is sourced from PubChem (CID 15884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).