4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine

C97H129FN6O7S — CID 158598314

IUPAC4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCC2CCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1cc(C)cc(COc2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C18H23NO2.C17H20FNO.2C16H25NO.C15H19NOS.C15H17NO/c1-13-8-14(10-16(9-13)20-5)12-21-17-11-15(6-7-19-17)18(2,3)4;1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-16(2,3)14-8-10-17-15(12-14)18-11-9-13-6-4-5-7-13;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)12-6-8-16-14(11-12)17-9-7-13-5-4-10-18-13;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13/h6-11H,12H2,1-5H3;4-8,10,12H,9,11H2,1-3H3;8,10,12-13H,4-7,9,11H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;3-10,12H,11H2,1-2H3
InChIKeyHVHPNNMZVXPRAI-UHFFFAOYSA-N
MW1542.20 g/mol
LogP24.94
Rot. Bonds23

About 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine

4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine (PubChem CID 158598314) has the molecular formula C97H129FN6O7S and a molecular weight of 1542.20 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine
PubChem CID158598314
Molecular FormulaC97H129FN6O7S
Molecular Weight1542.20 g/mol
Exact Mass1540.96
IUPAC Name4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCC2CCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1cc(C)cc(COc2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C18H23NO2.C17H20FNO.2C16H25NO.C15H19NOS.C15H17NO/c1-13-8-14(10-16(9-13)20-5)12-21-17-11-15(6-7-19-17)18(2,3)4;1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-16(2,3)14-8-10-17-15(12-14)18-11-9-13-6-4-5-7-13;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)12-6-8-16-14(11-12)17-9-7-13-5-4-10-18-13;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13/h6-11H,12H2,1-5H3;4-8,10,12H,9,11H2,1-3H3;8,10,12-13H,4-7,9,11H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;3-10,12H,11H2,1-2H3
InChIKeyHVHPNNMZVXPRAI-UHFFFAOYSA-N
XLogP24.94
TPSA141.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.20
LogP ≤ 524.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine?
The IUPAC name of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine (CID 158598314) is 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine.
What is the SMILES notation for 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine?
The canonical SMILES for 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine is CC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCC2CCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1cc(C)cc(COc2cc(C(C)(C)C)ccn2)c1.
What is the InChIKey of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine?
The InChIKey is HVHPNNMZVXPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C17H20FNO.2C16H25NO.C15H19NOS.C15H17NO/c1-13-8-14(10-16(9-13)20-5)12-21-17-11-15(6-7-19-17)18(2,3)4;1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-16(2,3)14-8-10-17-15(12-14)18-11-9-13-6-4-5-7-13;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)12-6-8-16-14(11-12)17-9-7-13-5-4-10-18-13;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13/h6-11H,12H2,1-5H3;4-8,10,12H,9,11H2,1-3H3;8,10,12-13H,4-7,9,11H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;3-10,12H,11H2,1-2H3.
What are the key properties of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine?
4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine has a molecular weight of 1542.20 g/mol, XLogP of 24.94, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(2-cyclopentylethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(3-methoxy-5-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine;2-phenylmethoxy-4-propan-2-ylpyridine is sourced from PubChem (CID 158598314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).