1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)

C162H188ClF10N5O7S — CID 157286438

About 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)

1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene) (PubChem CID 157286438) has the molecular formula C162H188ClF10N5O7S and a molecular weight of 2574.81 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene).

Molecular Properties

• Compound Name: 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)
• PubChem CID: 157286438
• Molecular Formula: C162H188ClF10N5O7S
• Molecular Weight: 2574.81 g/mol
• Exact Mass: 2572.38
• IUPAC Name: 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)
• SMILES: COc1c(C)cc(F)cc1F.COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccc(F)cc1C.COc1ccccc1C.Cc1cc(C)cc(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C)c1F.Cc1cccc(F)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1
• InChI: InChI=1S/C9H12O.C8H8F2O.C8H9FO.2C8H9F.2C8H10O.3C8H10.C7H7Cl.C7H6F2.3C7H7F.2C7H8.2C6H7N.C6H8O.C5H8N2.C5H6O.C4H5NS/c1-7-4-5-8(2)9(6-7)10-3;1-5-3-6(9)4-7(10)8(5)11-2;1-6-5-7(9)3-4-8(6)10-2;1-6-3-7(2)5-8(9)4-6;1-6-4-3-5-7(2)8(6)9;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;3*1-7-3-5-8(2)6-4-7;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;3-4H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;3*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: BAHCJESTIQNIAL-UHFFFAOYSA-N
• XLogP: 46.30
• TPSA: 128.92 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2574.81
LogP ≤ 5	46.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)?

The IUPAC name of 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene) (CID 157286438) is 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene).

What is the SMILES notation for 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)?

The canonical SMILES for 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene) is COc1c(C)cc(F)cc1F.COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccc(F)cc1C.COc1ccccc1C.Cc1cc(C)cc(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C)c1F.Cc1cccc(F)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1.

What is the InChIKey of 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)?

The InChIKey is BAHCJESTIQNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H8F2O.C8H9FO.2C8H9F.2C8H10O.3C8H10.C7H7Cl.C7H6F2.3C7H7F.2C7H8.2C6H7N.C6H8O.C5H8N2.C5H6O.C4H5NS/c1-7-4-5-8(2)9(6-7)10-3;1-5-3-6(9)4-7(10)8(5)11-2;1-6-5-7(9)3-4-8(6)10-2;1-6-3-7(2)5-8(9)4-6;1-6-4-3-5-7(2)8(6)9;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;3*1-7-3-5-8(2)6-4-7;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;3-4H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;3*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)?

1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene) has a molecular weight of 2574.81 g/mol, XLogP of 46.30, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene) is sourced from PubChem (CID 157286438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).