1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)

C143H212Cl2N4O16 — CID 159151645

IUPAC1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)
SMILESCC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.COCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O.2C14H20O2.2C14H22O2.C13H19NO2.C13H19NO.C13H20O2.C12H18O2.2C10H13Cl/c1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;2*1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;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)11-6-5-7-12(10-11)15-9-8-14-4;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-6,11,13H,7-10,12H2,1-4H3;2*4-7,13H,8-10H2,1-3H3;2*6-9,15H,10H2,1-5H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-7,10H,8-9H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;2*4-7H,1-3H3
InChIKeyKJJICCOEAQLDTE-UHFFFAOYSA-N
MW2314.19 g/mol
LogP34.17
Rot. Bonds24

About 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)

1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) (PubChem CID 159151645) has the molecular formula C143H212Cl2N4O16 and a molecular weight of 2314.19 g/mol. Its IUPAC name is 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane).

Molecular Properties

Compound Name1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)
PubChem CID159151645
Molecular FormulaC143H212Cl2N4O16
Molecular Weight2314.19 g/mol
Exact Mass2311.53
IUPAC Name1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)
SMILESCC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.COCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O.2C14H20O2.2C14H22O2.C13H19NO2.C13H19NO.C13H20O2.C12H18O2.2C10H13Cl/c1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;2*1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;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)11-6-5-7-12(10-11)15-9-8-14-4;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-6,11,13H,7-10,12H2,1-4H3;2*4-7,13H,8-10H2,1-3H3;2*6-9,15H,10H2,1-5H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-7,10H,8-9H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;2*4-7H,1-3H3
InChIKeyKJJICCOEAQLDTE-UHFFFAOYSA-N
XLogP34.17
TPSA222.59 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.19
LogP ≤ 534.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) with MolForge

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Launch Full Analysis

Related Compounds

Tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane);2-propan-2-ylpyridine
CID 159374892
(3S,4S)-4-(5-chloro-2-methylphenoxy)oxolan-3-ol;(3R,4R)-4-(5-chloro-2-methylphenoxy)oxolan-3-ol;(3S,4S)-4-[(6-chloro-3-methyl-2-pyridinyl)oxy]oxolan-3-ol;(3R,4R)-4-[(6-chloro-3-methyl-2-pyridinyl)oxy]oxolan-3-ol;(3S,4S)-4-(5-fluoro-2-methylphenoxy)oxolan-3-ol;(3R,4R)-4-(5-fluoro-2-methylphenoxy)oxolan-3-ol;(3S,4S)-4-[(3-methyl-2-pyridinyl)oxy]oxolan-3-ol;(3R,4R)-4-[(3-methyl-2-pyridinyl)oxy]oxolan-3-ol
CID 161624253

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)?
The IUPAC name of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) (CID 159151645) is 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane).
What is the SMILES notation for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)?
The canonical SMILES for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) is CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)cc1.CC(C)(C)c1ccc(OC2CCOC2)nc1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.COCCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)?
The InChIKey is KJJICCOEAQLDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.2C14H20O2.2C14H22O2.C13H19NO2.C13H19NO.C13H20O2.C12H18O2.2C10H13Cl/c1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;2*1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;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)11-6-5-7-12(10-11)15-9-8-14-4;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-6,11,13H,7-10,12H2,1-4H3;2*4-7,13H,8-10H2,1-3H3;2*6-9,15H,10H2,1-5H3;4-5,8,11H,6-7,9H2,1-3H3;7-9,11H,4-6H2,1-3H3;5-7,10H,8-9H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane)?
1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) has a molecular weight of 2314.19 g/mol, XLogP of 34.17, 24 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-3-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)ethanol;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;bis(3-(4-tert-butylphenoxy)oxolane) is sourced from PubChem (CID 159151645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).