1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene

C136H183Br3Cl3FN2OS — CID 158952957

IUPAC1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1cccs1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)c1Cl
InChIInChI=1S/C19H31N.C18H21Cl.C16H17F.C14H21NO.C11H15Cl.3C10H13Br.C10H13Cl.C10H14.C8H12S/c1-18(2,3)15-7-9-17(10-8-15)20-13-11-16(12-14-20)19(4,5)6;1-12-10-15(11-13(2)17(12)19)14-6-8-16(9-7-14)18(3,4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)8-9-4-6-10(12)7-5-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-9-7/h7-10,16H,11-14H2,1-6H3;6-11H,1-5H3;4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyJLQUWPLVTNJGFR-UHFFFAOYSA-N
MW2259.11 g/mol
LogP43.61
Rot. Bonds5

About 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene

1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene (PubChem CID 158952957) has the molecular formula C136H183Br3Cl3FN2OS and a molecular weight of 2259.11 g/mol. Its IUPAC name is 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene
PubChem CID158952957
Molecular FormulaC136H183Br3Cl3FN2OS
Molecular Weight2259.11 g/mol
Exact Mass2253.07
IUPAC Name1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1cccs1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)c1Cl
InChIInChI=1S/C19H31N.C18H21Cl.C16H17F.C14H21NO.C11H15Cl.3C10H13Br.C10H13Cl.C10H14.C8H12S/c1-18(2,3)15-7-9-17(10-8-15)20-13-11-16(12-14-20)19(4,5)6;1-12-10-15(11-13(2)17(12)19)14-6-8-16(9-7-14)18(3,4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)8-9-4-6-10(12)7-5-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-9-7/h7-10,16H,11-14H2,1-6H3;6-11H,1-5H3;4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyJLQUWPLVTNJGFR-UHFFFAOYSA-N
XLogP43.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002259.11
LogP ≤ 543.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene?
The IUPAC name of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene (CID 158952957) is 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene is CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)c1ccc(-c2ccc(F)cc2)cc1.CC(C)(C)c1ccc(Br)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(Br)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1cccs1.Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)c1Cl.
What is the InChIKey of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene?
The InChIKey is JLQUWPLVTNJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N.C18H21Cl.C16H17F.C14H21NO.C11H15Cl.3C10H13Br.C10H13Cl.C10H14.C8H12S/c1-18(2,3)15-7-9-17(10-8-15)20-13-11-16(12-14-20)19(4,5)6;1-12-10-15(11-13(2)17(12)19)14-6-8-16(9-7-14)18(3,4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)8-9-4-6-10(12)7-5-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-9-7/h7-10,16H,11-14H2,1-6H3;6-11H,1-5H3;4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene?
1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene has a molecular weight of 2259.11 g/mol, XLogP of 43.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-tert-butylbenzene;1-bromo-3-tert-butylbenzene;1-bromo-4-tert-butylbenzene;tert-butylbenzene;4-tert-butyl-1-(4-tert-butylphenyl)piperidine;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(4-fluorophenyl)benzene;5-(4-tert-butylphenyl)-2-chloro-1,3-dimethylbenzene;4-(4-tert-butylphenyl)morpholine;2-tert-butylthiophene;1-chloro-4-(2,2-dimethylpropyl)benzene is sourced from PubChem (CID 158952957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).