4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine

C113H148FN7O6S — CID 157224629

IUPAC4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine
SMILESCC(C)(C)c1ccnc(CCc2ccccc2)c1.CC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H20FNO.C17H21NO.C17H21N.C16H25NO.C16H19NO.C15H19NOS.C15H23NO/c1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;2*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;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h4-8,10,12H,9,11H2,1-3H3;5-11H,12H2,1-4H3;4-8,11-13H,9-10H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-11H,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;8-10,12H,4-7,11H2,1-3H3
InChIKeyATKAMDLRCWDIFI-UHFFFAOYSA-N
MW1751.53 g/mol
LogP28.88
Rot. Bonds23

About 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine

4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine (PubChem CID 157224629) has the molecular formula C113H148FN7O6S and a molecular weight of 1751.53 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine
PubChem CID157224629
Molecular FormulaC113H148FN7O6S
Molecular Weight1751.53 g/mol
Exact Mass1750.12
IUPAC Name4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine
SMILESCC(C)(C)c1ccnc(CCc2ccccc2)c1.CC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H20FNO.C17H21NO.C17H21N.C16H25NO.C16H19NO.C15H19NOS.C15H23NO/c1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;2*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;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h4-8,10,12H,9,11H2,1-3H3;5-11H,12H2,1-4H3;4-8,11-13H,9-10H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-11H,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;8-10,12H,4-7,11H2,1-3H3
InChIKeyATKAMDLRCWDIFI-UHFFFAOYSA-N
XLogP28.88
TPSA145.61 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.53
LogP ≤ 528.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine with MolForge

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Related Compounds

2-(Difluoromethoxy)-4-methylpyridine;2-(difluoromethyl)-4-methylpyridine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(2,2,2-trifluoroethoxy)pyridine;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethylsulfanyl)pyridine;4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 159859150
2-[18-[1-[18-[1-[14,22-Bis(4-methoxyphenyl)-18-methyl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-2-methylpropan-2-yl]-14,22-dithiophen-2-yl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]-2-methylpropan-2-yl]-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]pyridine
CID 156035191
2-[4-(4-Butylphenyl)phenyl]-5-ethyl-3-fluorothiophene;1-cyclohexyloxy-4-phenylbenzene;3,4-difluoro-2,5-bis(4-propylphenyl)thiophene;3-ethoxy-2-fluoro-6-(4-methylphenyl)pyridine;2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene;2-fluoro-3-(4-pentylphenyl)-6-(4-propylphenyl)pyridine;2-(4-heptylphenyl)-5-propylpyrazine;2-octoxy-5-[4-(4-propylphenyl)phenyl]pyrazine
CID 157291691
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;bis(1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol);4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 157622783
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
5-Cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
CID 158611088
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 158632096
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 158684067
1,3-Bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
CID 158729742
4-(3,5-Ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline
CID 158863869
1-Tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane
CID 158901906
4-Tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine
CID 159240605

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine?
The IUPAC name of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine (CID 157224629) is 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine?
The canonical SMILES for 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine is CC(C)(C)c1ccnc(CCc2ccccc2)c1.CC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCC2CCCCC2)c1.CC(C)(C)c1ccnc(OCCc2ccccc2F)c1.CC(C)(C)c1ccnc(OCCc2cccs2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine?
The InChIKey is ATKAMDLRCWDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.C17H21NO.C17H21N.C16H25NO.C16H19NO.C15H19NOS.C15H23NO/c1-17(2,3)14-8-10-19-16(12-14)20-11-9-13-6-4-5-7-15(13)18;1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;2*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;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h4-8,10,12H,9,11H2,1-3H3;5-11H,12H2,1-4H3;4-8,11-13H,9-10H2,1-3H3;9-11,13H,4-8,12H2,1-3H3;4-11H,12H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3;8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine?
4-tert-butyl-2-(cyclohexylmethoxy)pyridine;4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine has a molecular weight of 1751.53 g/mol, XLogP of 28.88, 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-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[2-(2-fluorophenyl)ethoxy]pyridine;4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine;4-tert-butyl-2-(2-phenylethyl)pyridine;4-tert-butyl-2-phenylmethoxypyridine;4-tert-butyl-2-(2-thiophen-2-ylethoxy)pyridine is sourced from PubChem (CID 157224629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).