2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine

C122H178ClFN6O16 — CID 158514309

About 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine

2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine (PubChem CID 158514309) has the molecular formula C122H178ClFN6O16 and a molecular weight of 2042.26 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine.

Molecular Properties

• Compound Name: 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
• PubChem CID: 158514309
• Molecular Formula: C122H178ClFN6O16
• Molecular Weight: 2042.26 g/mol
• Exact Mass: 2040.32
• IUPAC Name: 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
• SMILES: CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)Oc1ccc(C(C)(C)C)cn1.COCCOc1ccc(C(C)(C)C)cc1F.COCCOc1ccc(C(C)(C)C)cn1.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)cn1
• InChI: InChI=1S/C17H25NO2.C16H18ClNO.C16H23NO3.C14H22O2.C13H19FO2.C12H19NO2.C12H19NO.C12H18O2.C10H15NO/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-12(2,3)10-5-6-11(13-9-10)15-8-7-14-4;1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-10(2,3)8-5-6-9(12-4)11-7-8/h4,7-8,13H,5-6,9-12H2,1-3H3;4-10H,11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-9H,1-5H3;4-6,9,13H,7-8H2,1-3H3;5-7H,1-4H3/i;;;;;;;;4D3
• InChIKey: HLLCINBHMZVBPJ-LOGWUITPSA-N
• XLogP: 26.80
• TPSA: 243.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.26
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The IUPAC name of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine (CID 158514309) is 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine.

What is the SMILES notation for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The canonical SMILES for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine is CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)Oc1ccc(C(C)(C)C)cn1.COCCOc1ccc(C(C)(C)C)cc1F.COCCOc1ccc(C(C)(C)C)cn1.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)cn1.

What is the InChIKey of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The InChIKey is HLLCINBHMZVBPJ-LOGWUITPSA-N. The full InChI is InChI=1S/C17H25NO2.C16H18ClNO.C16H23NO3.C14H22O2.C13H19FO2.C12H19NO2.C12H19NO.C12H18O2.C10H15NO/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-12(2,3)10-5-6-11(13-9-10)15-8-7-14-4;1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-10(2,3)8-5-6-9(12-4)11-7-8/h4,7-8,13H,5-6,9-12H2,1-3H3;4-10H,11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-9H,1-5H3;4-6,9,13H,7-8H2,1-3H3;5-7H,1-4H3/i;;;;;;;;4D3.

What are the key properties of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine has a molecular weight of 2042.26 g/mol, XLogP of 26.80, 29 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine is sourced from PubChem (CID 158514309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).