4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine

C107H124ClFN8O5 — CID 159325172

IUPAC4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ncnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C17H18ClFO.C17H19N3O.C17H20O.C16H17N3O.C16H18O.C12H15N.C12H17N/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-4-6-13(7-5-12)20-14-8-9-19-15(10-14)17-11-18-19;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13/h4-10H,11H2,1-3H3;5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3
InChIKeyLEGPGAPYGUIXPY-UHFFFAOYSA-N
MW1656.67 g/mol
LogP29.48
Rot. Bonds11

About 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine

4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159325172) has the molecular formula C107H124ClFN8O5 and a molecular weight of 1656.67 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159325172
Molecular FormulaC107H124ClFN8O5
Molecular Weight1656.67 g/mol
Exact Mass1654.94
IUPAC Name4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ncnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C17H18ClFO.C17H19N3O.C17H20O.C16H17N3O.C16H18O.C12H15N.C12H17N/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-4-6-13(7-5-12)20-14-8-9-19-15(10-14)17-11-18-19;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13/h4-10H,11H2,1-3H3;5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3
InChIKeyLEGPGAPYGUIXPY-UHFFFAOYSA-N
XLogP29.48
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.67
LogP ≤ 529.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 159325172) is 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ncnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LEGPGAPYGUIXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO.C17H19N3O.C17H20O.C16H17N3O.C16H18O.C12H15N.C12H17N/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-4-6-13(7-5-12)20-14-8-9-19-15(10-14)17-11-18-19;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13/h4-10H,11H2,1-3H3;5-11H,1-4H3;5-12H,1-4H3;4-11H,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1656.67 g/mol, XLogP of 29.48, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 159325172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).