1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene

C97H112Cl2 — CID 160565395

About 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene

1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene (PubChem CID 160565395) has the molecular formula C97H112Cl2 and a molecular weight of 1348.87 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
• PubChem CID: 160565395
• Molecular Formula: C97H112Cl2
• Molecular Weight: 1348.87 g/mol
• Exact Mass: 1346.81
• IUPAC Name: 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
• SMILES: Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc(C)c1C
• InChI: InChI=1S/C14H14.2C12H12.3C9H12.2C8H9Cl.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;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;2*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;2*3-8H,1-2H3;3*4-6H,1-3H3;2*3-5H,1-2H3;2*3-6H,1-2H3
• InChIKey: QZVUZPBKLPTVLV-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1348.87
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene?

The IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene (CID 160565395) is 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene.

What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene?

The canonical SMILES for 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc(C)c1C.

What is the InChIKey of 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene?

The InChIKey is QZVUZPBKLPTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2C12H12.3C9H12.2C8H9Cl.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;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;2*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;2*3-8H,1-2H3;3*4-6H,1-3H3;2*3-5H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene?

1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene has a molecular weight of 1348.87 g/mol, XLogP of 29.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene is sourced from PubChem (CID 160565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).