1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

C205H288Cl5F3O3S4 — CID 163488228

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (PubChem CID 163488228) has the molecular formula C205H288Cl5F3O3S4 and a molecular weight of 3163.08 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• PubChem CID: 163488228
• Molecular Formula: C205H288Cl5F3O3S4
• Molecular Weight: 3163.08 g/mol
• Exact Mass: 3157.97
• IUPAC Name: 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• SMILES: CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccsc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(c1ccccc1)C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
• InChI: InChI=1S/C12H16O.C12H18.2C11H16O.5C11H16.C10H12Cl2.3C10H13Cl.3C10H13F.2C9H14S.2C8H12S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-4-5-8(11)9(12)6-7;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)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7/h4-5,8H,6-7H2,1-3H3;5-10H,1-4H3;2*5-8H,1-4H3;4*5-8H,1-4H3;4-8H,9H2,1-3H3;4-6H,1-3H3;6*4-7H,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-6H,1-3H3
• InChIKey: CKJPBKJNABUXLD-UHFFFAOYSA-N
• XLogP: 66.52
• TPSA: 27.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3163.08
LogP ≤ 5	66.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (CID 163488228) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccsc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(c1ccccc1)C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

The InChIKey is CKJPBKJNABUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C12H18.2C11H16O.5C11H16.C10H12Cl2.3C10H13Cl.3C10H13F.2C9H14S.2C8H12S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-4-5-8(11)9(12)6-7;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)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7/h4-5,8H,6-7H2,1-3H3;5-10H,1-4H3;2*5-8H,1-4H3;4*5-8H,1-4H3;4-8H,9H2,1-3H3;4-6H,1-3H3;6*4-7H,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-6H,1-3H3.

What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?

1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 3163.08 g/mol, XLogP of 66.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 163488228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).