2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol

C17H28O2 — CID 58031358

IUPAC2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)c(C(C)(C)C)c(O)c(C(C)(C)C)c1C
InChIInChI=1S/C17H28O2/c1-10-12(16(3,4)5)14(18)13(17(6,7)8)11(2)15(10)19-9/h18H,1-9H3
InChIKeyCYAOTSKRHOKWCO-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds1

About 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol

2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol (PubChem CID 58031358) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol
PubChem CID58031358
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)c(C(C)(C)C)c(O)c(C(C)(C)C)c1C
InChIInChI=1S/C17H28O2/c1-10-12(16(3,4)5)14(18)13(17(6,7)8)11(2)15(10)19-9/h18H,1-9H3
InChIKeyCYAOTSKRHOKWCO-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol?
The IUPAC name of 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol (CID 58031358) is 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol is COc1c(C)c(C(C)(C)C)c(O)c(C(C)(C)C)c1C.
What is the InChIKey of 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol?
The InChIKey is CYAOTSKRHOKWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-10-12(16(3,4)5)14(18)13(17(6,7)8)11(2)15(10)19-9/h18H,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol?
2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol has a molecular weight of 264.41 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol is sourced from PubChem (CID 58031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).