2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)

C174H217N13O6S4 — CID 157112068

About 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)

2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene) (PubChem CID 157112068) has the molecular formula C174H217N13O6S4 and a molecular weight of 2715.00 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene).

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)
• PubChem CID: 157112068
• Molecular Formula: C174H217N13O6S4
• Molecular Weight: 2715.00 g/mol
• Exact Mass: 2712.60
• IUPAC Name: 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)
• SMILES: C.CC1CCC(C)CC1.CC1COC(C)OC1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc2c(C)cccc12.Cc1cccc2c1CCCC2C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1
• InChI: InChI=1S/C14H14.C13H13N.C12H12.C12H16.2C12H12.C10H10O.C9H9NS.C8H16.2C8H10.C7H9N.2C6H8N2.C6H12O2.C6H8O.C6H8S.C5H7NO.C5H7NS.C4H6N2O.C4H6N2S.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-3-4-8-9(5-6)11-7(2)10-8;3*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;2*1-5-3-4-6(2)8-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4;2*1-3-5-6-4(2)7-3;/h3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3,5,8,10H,4,6-7H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3;2*1-2H3;1H4
• InChIKey: AGYXFPGTXBRDAS-UHFFFAOYSA-N
• XLogP: 49.23
• TPSA: 238.59 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 2
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2715.00
LogP ≤ 5	49.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)?

The IUPAC name of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene) (CID 157112068) is 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene).

What is the SMILES notation for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)?

The canonical SMILES for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene) is C.CC1CCC(C)CC1.CC1COC(C)OC1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc2c(C)cccc12.Cc1cccc2c1CCCC2C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1.

What is the InChIKey of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)?

The InChIKey is AGYXFPGTXBRDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C13H13N.C12H12.C12H16.2C12H12.C10H10O.C9H9NS.C8H16.2C8H10.C7H9N.2C6H8N2.C6H12O2.C6H8O.C6H8S.C5H7NO.C5H7NS.C4H6N2O.C4H6N2S.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-3-4-8-9(5-6)11-7(2)10-8;3*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;2*1-5-3-4-6(2)8-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4;2*1-3-5-6-4(2)7-3;/h3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3,5,8,10H,4,6-7H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3;2*1-2H3;1H4.

What are the key properties of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)?

2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene) has a molecular weight of 2715.00 g/mol, XLogP of 49.23, 2 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene) is sourced from PubChem (CID 157112068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).