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

C145H214Cl2F3N7O19S2 — CID 162144362

IUPAC4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(Cl)c(OCCCS(C)(=O)=O)c1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cn1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)c1.COCCOc1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H23NO2.C14H21ClO3S.C14H23NO.C14H22O2.C13H20N2O2S.2C13H19NO2.C13H19NO.C13H20O2.C11H15ClO.C11H13F3O/c1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)11-6-7-12(15)13(10-11)18-8-5-9-19(4,16)17;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)12-5-4-10(8-14-12)16-11-6-7-15-9-11;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;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14/h6-9H,4-5,10-12H2,1-3H3;6-7,10H,5,8-9H2,1-4H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*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;4-7H,1-3H3
InChIKeyZKIUXJUHBWAVGG-UHFFFAOYSA-N
MW2551.37 g/mol
LogP33.05
Rot. Bonds29

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

4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene (PubChem CID 162144362) has the molecular formula C145H214Cl2F3N7O19S2 and a molecular weight of 2551.37 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene
PubChem CID162144362
Molecular FormulaC145H214Cl2F3N7O19S2
Molecular Weight2551.37 g/mol
Exact Mass2548.48
IUPAC Name4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1ccc(Cl)c(OCCCS(C)(=O)=O)c1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cn1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)c1.COCCOc1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H23NO2.C14H21ClO3S.C14H23NO.C14H22O2.C13H20N2O2S.2C13H19NO2.C13H19NO.C13H20O2.C11H15ClO.C11H13F3O/c1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)11-6-7-12(15)13(10-11)18-8-5-9-19(4,16)17;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)12-5-4-10(8-14-12)16-11-6-7-15-9-11;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;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14/h6-9H,4-5,10-12H2,1-3H3;6-7,10H,5,8-9H2,1-4H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*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;4-7H,1-3H3
InChIKeyZKIUXJUHBWAVGG-UHFFFAOYSA-N
XLogP33.05
TPSA286.85 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.37
LogP ≤ 533.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene (CID 162144362) is 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene is CC(C)(C)c1ccc(Cl)c(OCCCS(C)(=O)=O)c1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cn1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN(C)CCOc1cccc(C(C)(C)C)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;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene?
The InChIKey is ZKIUXJUHBWAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.C14H21ClO3S.C14H23NO.C14H22O2.C13H20N2O2S.2C13H19NO2.C13H19NO.C13H20O2.C11H15ClO.C11H13F3O/c1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-14(2,3)11-6-7-12(15)13(10-11)18-8-5-9-19(4,16)17;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)12-5-4-10(8-14-12)16-11-6-7-15-9-11;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;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14/h6-9H,4-5,10-12H2,1-3H3;6-7,10H,5,8-9H2,1-4H3;6-8,11H,9-10H2,1-5H3;6-9,15H,10H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*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;4-7H,1-3H3.
What are the key properties of 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene?
4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene has a molecular weight of 2551.37 g/mol, XLogP of 33.05, 29 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;2-tert-butyl-5-(oxolan-3-yloxy)pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;1-tert-butyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 162144362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).