2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene

C76H110 — CID 161411328

About 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene

2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene (PubChem CID 161411328) has the molecular formula C76H110 and a molecular weight of 1023.72 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
• PubChem CID: 161411328
• Molecular Formula: C76H110
• Molecular Weight: 1023.72 g/mol
• Exact Mass: 1022.86
• IUPAC Name: 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
• SMILES: CC1CCC(CC2CCC(C)CC2)CC1.CCC1(C)CC(C)CC(C)(C)C1.Cc1ccc(C)c(C)c1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2C)cc1.Cc1cccc(C)c1C
• InChI: InChI=1S/C16H18.C15H28.C15H16.C12H24.2C9H12/c1-12-4-7-15(8-5-12)11-16-9-6-13(2)10-14(16)3;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3/h4-10H,11H2,1-3H3;12-15H,3-11H2,1-2H3;3-10H,11H2,1-2H3;10H,6-9H2,1-5H3;2*4-6H,1-3H3
• InChIKey: VVMVOVVHPKGFLY-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.72
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The IUPAC name of 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene (CID 161411328) is 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene.

What is the SMILES notation for 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The canonical SMILES for 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene is CC1CCC(CC2CCC(C)CC2)CC1.CCC1(C)CC(C)CC(C)(C)C1.Cc1ccc(C)c(C)c1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2C)cc1.Cc1cccc(C)c1C.

What is the InChIKey of 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The InChIKey is VVMVOVVHPKGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C15H28.C15H16.C12H24.2C9H12/c1-12-4-7-15(8-5-12)11-16-9-6-13(2)10-14(16)3;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3/h4-10H,11H2,1-3H3;12-15H,3-11H2,1-2H3;3-10H,11H2,1-2H3;10H,6-9H2,1-5H3;2*4-6H,1-3H3.

What are the key properties of 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene has a molecular weight of 1023.72 g/mol, XLogP of 22.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 161411328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).