1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane

C194H290Cl5F3N6OS7 — CID 157410263

About 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane

1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane (PubChem CID 157410263) has the molecular formula C194H290Cl5F3N6OS7 and a molecular weight of 3181.22 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
• PubChem CID: 157410263
• Molecular Formula: C194H290Cl5F3N6OS7
• Molecular Weight: 3181.22 g/mol
• Exact Mass: 3175.93
• IUPAC Name: 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
• SMILES: C.C.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1sccc1Cl.COc1ccc(C(C)(C)C)cc1.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)sc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(Cl)c1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C
• InChI: InChI=1S/2C12H18.2C11H15Cl.3C11H15F.C11H17N.C11H16O.3C10H15N.C9H13ClS.2C9H15NS.2C9H14S.2C8H11ClS.2CH4/c2*1-9-6-7-11(10(2)8-9)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;3*1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;1-11(2,3)9-5-7-10(12-4)8-6-9;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-6-5-7(10)11-8(6)9(2,3)4;2*1-6-8(9(3,4)5)11-7(2)10-6;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-6(9)4-5-10-7;1-8(2,3)6-4-5-7(9)10-6;;/h2*6-8H,1-5H3;5*5-7H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;3*5-7H,1-4H3;5H,1-4H3;2*1-5H3;2*5-6H,1-4H3;2*4-5H,1-3H3;2*1H4
• InChIKey: BOESZARWNRFFMK-UHFFFAOYSA-N
• XLogP: 64.94
• TPSA: 86.57 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3181.22
LogP ≤ 5	64.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?

The IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane (CID 157410263) is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane.

What is the SMILES notation for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?

The canonical SMILES for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane is C.C.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1sccc1Cl.COc1ccc(C(C)(C)C)cc1.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)sc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(Cl)c1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?

The InChIKey is BOESZARWNRFFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C11H15Cl.3C11H15F.C11H17N.C11H16O.3C10H15N.C9H13ClS.2C9H15NS.2C9H14S.2C8H11ClS.2CH4/c2*1-9-6-7-11(10(2)8-9)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-5-7-9(12)10(8)11(2,3)4;3*1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;1-11(2,3)9-5-7-10(12-4)8-6-9;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-6-5-7(10)11-8(6)9(2,3)4;2*1-6-8(9(3,4)5)11-7(2)10-6;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-6(9)4-5-10-7;1-8(2,3)6-4-5-7(9)10-6;;/h2*6-8H,1-5H3;5*5-7H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;3*5-7H,1-4H3;5H,1-4H3;2*1-5H3;2*5-6H,1-4H3;2*4-5H,1-3H3;2*1H4.

What are the key properties of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?

1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane has a molecular weight of 3181.22 g/mol, XLogP of 64.94, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane is sourced from PubChem (CID 157410263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).