5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine

C19H25NO2 — CID 66593683

IUPAC5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine
SMILESCc1cccc(C)c1OCCOc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C19H25NO2/c1-14-7-6-8-15(2)18(14)22-12-11-21-17-10-9-16(13-20-17)19(3,4)5/h6-10,13H,11-12H2,1-5H3
InChIKeyOUVCAIBPDFZHJC-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.45
Rot. Bonds5

About 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine

5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine (PubChem CID 66593683) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine
PubChem CID66593683
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine
SMILESCc1cccc(C)c1OCCOc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C19H25NO2/c1-14-7-6-8-15(2)18(14)22-12-11-21-17-10-9-16(13-20-17)19(3,4)5/h6-10,13H,11-12H2,1-5H3
InChIKeyOUVCAIBPDFZHJC-UHFFFAOYSA-N
XLogP4.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine?
The IUPAC name of 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine (CID 66593683) is 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine?
The canonical SMILES for 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine is Cc1cccc(C)c1OCCOc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine?
The InChIKey is OUVCAIBPDFZHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-7-6-8-15(2)18(14)22-12-11-21-17-10-9-16(13-20-17)19(3,4)5/h6-10,13H,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine?
5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine has a molecular weight of 299.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[2-(2,6-dimethylphenoxy)ethoxy]pyridine is sourced from PubChem (CID 66593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).