2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene

C105H123N3OSSe — CID 159385097

About 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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 159385097) has the molecular formula C105H123N3OSSe and a molecular weight of 1554.19 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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: 159385097
• Molecular Formula: C105H123N3OSSe
• Molecular Weight: 1554.19 g/mol
• Exact Mass: 1553.86
• IUPAC Name: 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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(C)[se]1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1ccnc(C)c1
• InChI: InChI=1S/3C14H14.3C8H10.3C7H9N.C6H8O.C6H8S.C6H8Se/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;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;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;3*1-5-3-4-6(2)7-5/h3*3-10H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: LLJVNXDWBFMLDH-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 51.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1554.19
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 159385097) is 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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(C)[se]1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1ccnc(C)c1.

What is the InChIKey of 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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 LLJVNXDWBFMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H14.3C8H10.3C7H9N.C6H8O.C6H8S.C6H8Se/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;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;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;3*1-5-3-4-6(2)7-5/h3*3-10H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3;3*3-4H,1-2H3.

What are the key properties of 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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 1554.19 g/mol, XLogP of 29.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-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 159385097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).