1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene

C182H216BrCl2F6N7O8 — CID 160612668

IUPAC1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ccnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.COc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H18ClFO.C17H19FO.C17H19N3O.C17H18N2O.C17H20O.C16H19NO.C16H18O.C12H15N.C11H13F3.C11H16O.C11H16.C10H13Br.C10H12ClF/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;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)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;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;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)7-4-5-9(12)8(11)6-7/h4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-11H,1-4H3;4-12H,1-3H3;5-12H,1-4H3;4-11H,12H2,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyRFRLRIDYHDNPBV-UHFFFAOYSA-N
MW2894.57 g/mol
LogP53.71
Rot. Bonds18

About 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene

1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 160612668) has the molecular formula C182H216BrCl2F6N7O8 and a molecular weight of 2894.57 g/mol. Its IUPAC name is 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID160612668
Molecular FormulaC182H216BrCl2F6N7O8
Molecular Weight2894.57 g/mol
Exact Mass2890.52
IUPAC Name1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ccnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.COc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H18ClFO.C17H19FO.C17H19N3O.C17H18N2O.C17H20O.C16H19NO.C16H18O.C12H15N.C11H13F3.C11H16O.C11H16.C10H13Br.C10H12ClF/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;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)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;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;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)7-4-5-9(12)8(11)6-7/h4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-11H,1-4H3;4-12H,1-3H3;5-12H,1-4H3;4-11H,12H2,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyRFRLRIDYHDNPBV-UHFFFAOYSA-N
XLogP53.71
TPSA150.01 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002894.57
LogP ≤ 553.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene (CID 160612668) is 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene is CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1ccc(Oc2ccn3ccnc3c2)cc1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1cccc(C(F)(F)F)c1.COc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is RFRLRIDYHDNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO.C17H19FO.C17H19N3O.C17H18N2O.C17H20O.C16H19NO.C16H18O.C12H15N.C11H13F3.C11H16O.C11H16.C10H13Br.C10H12ClF/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;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)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;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;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)7-4-5-9(12)8(11)6-7/h4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-11H,1-4H3;4-12H,1-3H3;5-12H,1-4H3;4-11H,12H2,1-3H3;4-12H,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene?
1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 2894.57 g/mol, XLogP of 53.71, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-tert-butylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;6-tert-butyl-1H-indole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;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;2-[(4-tert-butylphenoxy)methyl]pyridine;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 160612668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).