4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

C141H215ClN8O15S — CID 161394749

IUPAC4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/2C17H27NO.C16H23NO2.C14H23NO.C14H22O2.C13H20N2O2S.C13H19NO2.C13H19NO.C13H20O2.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)10-4-5-12(14-8-10)16-11-6-7-15-9-11;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-8H,9-10H2,1-4H3;5-7H,1-4H3
InChIKeyVTLLBZJEJYGAAZ-UHFFFAOYSA-N
MW2329.83 g/mol
LogP30.58
Rot. Bonds27

About 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 161394749) has the molecular formula C141H215ClN8O15S and a molecular weight of 2329.83 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
PubChem CID161394749
Molecular FormulaC141H215ClN8O15S
Molecular Weight2329.83 g/mol
Exact Mass2327.57
IUPAC Name4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/2C17H27NO.C16H23NO2.C14H23NO.C14H22O2.C13H20N2O2S.C13H19NO2.C13H19NO.C13H20O2.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)10-4-5-12(14-8-10)16-11-6-7-15-9-11;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-8H,9-10H2,1-4H3;5-7H,1-4H3
InChIKeyVTLLBZJEJYGAAZ-UHFFFAOYSA-N
XLogP30.58
TPSA227.84 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002329.83
LogP ≤ 530.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (CID 161394749) is 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccc1Cl.
What is the InChIKey of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is VTLLBZJEJYGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H27NO.C16H23NO2.C14H23NO.C14H22O2.C13H20N2O2S.C13H19NO2.C13H19NO.C13H20O2.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)12-7-6-8-13(11-12)16-10-9-15(4)5;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)10-4-5-12(14-8-10)16-11-6-7-15-9-11;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;6-9H,4-5,10-12H2,1-3H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-8H,9-10H2,1-4H3;5-7H,1-4H3.
What are the key properties of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 2329.83 g/mol, XLogP of 30.58, 27 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 161394749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).