1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene

C116H118 — CID 158917367

About 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene

1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 158917367) has the molecular formula C116H118 and a molecular weight of 1512.22 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

• Compound Name: 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene
• PubChem CID: 158917367
• Molecular Formula: C116H118
• Molecular Weight: 1512.22 g/mol
• Exact Mass: 1510.92
• IUPAC Name: 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene
• SMILES: Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2cccc(C)c2C)cc1C.Cc1ccc(-c2ccccc2C)cc1
• InChI: InChI=1S/2C20H18.3C16H18.2C14H14/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-8-17(9-7-15)18-10-12-19(13-11-18)20-5-3-4-16(2)14-20;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4;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/h2*3-14H,1-2H3;3*5-10H,1-4H3;2*3-10H,1-2H3
• InChIKey: JHJXYYIXZLRPDF-UHFFFAOYSA-N
• XLogP: 32.98
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1512.22
LogP ≤ 5	32.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene?

The IUPAC name of 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene (CID 158917367) is 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene.

What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene?

The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2cccc(C)c2C)cc1C.Cc1ccc(-c2ccccc2C)cc1.

What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene?

The InChIKey is JHJXYYIXZLRPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18.3C16H18.2C14H14/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-8-17(9-7-15)18-10-12-19(13-11-18)20-5-3-4-16(2)14-20;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4;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/h2*3-14H,1-2H3;3*5-10H,1-4H3;2*3-10H,1-2H3.

What are the key properties of 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene?

1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 1512.22 g/mol, XLogP of 32.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 158917367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).