2-(4-tert-butylphenoxy)-6-methylpyrazine

C15H18N2O — CID 58432453

IUPAC2-(4-tert-butylphenoxy)-6-methylpyrazine
SMILESCc1cncc(Oc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H18N2O/c1-11-9-16-10-14(17-11)18-13-7-5-12(6-8-13)15(2,3)4/h5-10H,1-4H3
InChIKeyZUJSAGJNZGUYQR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-tert-butylphenoxy)-6-methylpyrazine

2-(4-tert-butylphenoxy)-6-methylpyrazine (PubChem CID 58432453) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-6-methylpyrazine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-6-methylpyrazine
PubChem CID58432453
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-tert-butylphenoxy)-6-methylpyrazine
SMILESCc1cncc(Oc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H18N2O/c1-11-9-16-10-14(17-11)18-13-7-5-12(6-8-13)15(2,3)4/h5-10H,1-4H3
InChIKeyZUJSAGJNZGUYQR-UHFFFAOYSA-N
XLogP3.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-6-methylpyrazine?
The IUPAC name of 2-(4-tert-butylphenoxy)-6-methylpyrazine (CID 58432453) is 2-(4-tert-butylphenoxy)-6-methylpyrazine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-6-methylpyrazine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-6-methylpyrazine is Cc1cncc(Oc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-6-methylpyrazine?
The InChIKey is ZUJSAGJNZGUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-16-10-14(17-11)18-13-7-5-12(6-8-13)15(2,3)4/h5-10H,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-6-methylpyrazine?
2-(4-tert-butylphenoxy)-6-methylpyrazine has a molecular weight of 242.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-6-methylpyrazine is sourced from PubChem (CID 58432453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).