2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

C153H186BrCl3F7N9O4S3 — CID 158917495

About 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 158917495) has the molecular formula C153H186BrCl3F7N9O4S3 and a molecular weight of 2630.68 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 158917495
• Molecular Formula: C153H186BrCl3F7N9O4S3
• Molecular Weight: 2630.68 g/mol
• Exact Mass: 2626.19
• IUPAC Name: 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: COc1cc(C)ccc1C.Cc1c[nH]c(C)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C(=O)O)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1Cl
• InChI: InChI=1S/C9H10O2.C9H12O.C9H12.C8H9Br.C8H8ClF.C8H9Cl.2C8H8F2.2C8H9F.C8H10.2C7H9N.C6H7ClS.3C6H8N2.C6H9N.C6H8O.2C6H8S/c1-6-3-4-7(2)8(5-6)9(10)11;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-4-3-8-5(2)6(4)7;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;4*1-5-3-6(2)7-4-5/h3-5H,1-2H3,(H,10,11);4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;3H,1-2H3;3*3-4H,1-2H3;3-4,7H,1-2H3;3*3-4H,1-2H3
• InChIKey: JHKKBKOHMVRWMS-UHFFFAOYSA-N
• XLogP: 46.35
• TPSA: 178.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.68
LogP ≤ 5	46.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (CID 158917495) is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is COc1cc(C)ccc1C.Cc1c[nH]c(C)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C(=O)O)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1Cl.

What is the InChIKey of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is JHKKBKOHMVRWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C9H12O.C9H12.C8H9Br.C8H8ClF.C8H9Cl.2C8H8F2.2C8H9F.C8H10.2C7H9N.C6H7ClS.3C6H8N2.C6H9N.C6H8O.2C6H8S/c1-6-3-4-7(2)8(5-6)9(10)11;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-4-3-8-5(2)6(4)7;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;4*1-5-3-6(2)7-4-5/h3-5H,1-2H3,(H,10,11);4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;3H,1-2H3;3*3-4H,1-2H3;3-4,7H,1-2H3;3*3-4H,1-2H3.

What are the key properties of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 2630.68 g/mol, XLogP of 46.35, 2 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 158917495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).