1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene

C86H104 — CID 159354320

About 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene

1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 159354320) has the molecular formula C86H104 and a molecular weight of 1137.78 g/mol. Its IUPAC name is 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene
• PubChem CID: 159354320
• Molecular Formula: C86H104
• Molecular Weight: 1137.78 g/mol
• Exact Mass: 1136.81
• IUPAC Name: 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene
• SMILES: Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc2ccccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
• InChI: InChI=1S/C14H14.C12H12.C12H18.C11H10.C11H16.C10H14.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-6-8(2)10(4)11(5)9(7)3;1-7-5-8(2)10(4)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;3-8H,1-2H3;1-6H3;2-8H,1H3;6H,1-5H3;5-6H,1-4H3;2*3-6H,1-2H3
• InChIKey: LHSQTPLFBQKSAO-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.78
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The IUPAC name of 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene (CID 159354320) is 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The canonical SMILES for 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene is Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc2ccccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.

What is the InChIKey of 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

The InChIKey is LHSQTPLFBQKSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C12H12.C12H18.C11H10.C11H16.C10H14.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-6-8(2)10(4)11(5)9(7)3;1-7-5-8(2)10(4)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;3-8H,1-2H3;1-6H3;2-8H,1H3;6H,1-5H3;5-6H,1-4H3;2*3-6H,1-2H3.

What are the key properties of 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene?

1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 1137.78 g/mol, XLogP of 24.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159354320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).