2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene

C107H115NO — CID 157379473

About 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene

2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 157379473) has the molecular formula C107H115NO and a molecular weight of 1431.10 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
• PubChem CID: 157379473
• Molecular Formula: C107H115NO
• Molecular Weight: 1431.10 g/mol
• Exact Mass: 1429.90
• IUPAC Name: 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
• SMILES: Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C)c1.Cc1ccccc1C
• InChI: InChI=1S/3C14H14.2C12H12.C10H10O.3C8H10.C7H9N/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6/h3*3-10H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: BKRYPYPMVKAEQB-UHFFFAOYSA-N
• XLogP: 30.48
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.10
LogP ≤ 5	30.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?

The IUPAC name of 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 157379473) is 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?

The canonical SMILES for 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C)c1.Cc1ccccc1C.

What is the InChIKey of 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?

The InChIKey is BKRYPYPMVKAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H14.2C12H12.C10H10O.3C8H10.C7H9N/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6/h3*3-10H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?

2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 1431.10 g/mol, XLogP of 30.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157379473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).