2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine

C16H19ClN2O — CID 66467805

IUPAC2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
SMILESCc1cc(C(C)(C)C)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C16H19ClN2O/c1-11-7-12(16(2,3)4)5-6-14(11)20-15-10-18-9-13(8-17)19-15/h5-7,9-10H,8H2,1-4H3
InChIKeyVZBLORSTTKBGNR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine

2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine (PubChem CID 66467805) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
PubChem CID66467805
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
SMILESCc1cc(C(C)(C)C)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C16H19ClN2O/c1-11-7-12(16(2,3)4)5-6-14(11)20-15-10-18-9-13(8-17)19-15/h5-7,9-10H,8H2,1-4H3
InChIKeyVZBLORSTTKBGNR-UHFFFAOYSA-N
XLogP4.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine (CID 66467805) is 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine is Cc1cc(C(C)(C)C)ccc1Oc1cncc(CCl)n1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine?
The InChIKey is VZBLORSTTKBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-7-12(16(2,3)4)5-6-14(11)20-15-10-18-9-13(8-17)19-15/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine?
2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine has a molecular weight of 290.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine is sourced from PubChem (CID 66467805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).