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)imidazo[1,2-a]pyridine

C108H125ClFN7O5 — CID 158712340

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)imidazo[1,2-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)imidazo[1,2-a]pyridine (PubChem CID 158712340) has the molecular formula C108H125ClFN7O5 and a molecular weight of 1655.68 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)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 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)imidazo[1,2-a]pyridine
• PubChem CID: 158712340
• Molecular Formula: C108H125ClFN7O5
• Molecular Weight: 1655.68 g/mol
• Exact Mass: 1653.94
• IUPAC Name: 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)imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ccnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C17H18ClFO.C17H19N3O.C17H18N2O.C17H20O.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;1-17(2,3)13-4-6-14(7-5-13)20-15-8-10-19-11-9-18-16(19)12-15;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;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;4-12H,1-3H3;5-12H,1-4H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3
• InChIKey: IIWQKONQVVRYJK-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 112.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.68
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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)imidazo[1,2-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)imidazo[1,2-a]pyridine (CID 158712340) 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)imidazo[1,2-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)imidazo[1,2-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)imidazo[1,2-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(Oc2ccn3ccnc3c2)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)imidazo[1,2-a]pyridine?

The InChIKey is IIWQKONQVVRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO.C17H19N3O.C17H18N2O.C17H20O.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;1-17(2,3)13-4-6-14(7-5-13)20-15-8-10-19-11-9-18-16(19)12-15;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;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;4-12H,1-3H3;5-12H,1-4H3;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)imidazo[1,2-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)imidazo[1,2-a]pyridine has a molecular weight of 1655.68 g/mol, XLogP of 30.08, 11 rotatable bonds, 1 hydrogen bond donors, and 11 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)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158712340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).