1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene

C58H60 — CID 160676393

IUPAC1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2ccccc2C)c1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C16H18.3C14H14/c1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*3-10H,1-2H3
InChIKeyRNOTYXKNLXTHDD-UHFFFAOYSA-N
MW757.12 g/mol
LogP16.50
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene

1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene (PubChem CID 160676393) has the molecular formula C58H60 and a molecular weight of 757.12 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
PubChem CID160676393
Molecular FormulaC58H60
Molecular Weight757.12 g/mol
Exact Mass756.47
IUPAC Name1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2ccccc2C)c1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C16H18.3C14H14/c1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*3-10H,1-2H3
InChIKeyRNOTYXKNLXTHDD-UHFFFAOYSA-N
XLogP16.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.12
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene (CID 160676393) is 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2ccccc2C)c1.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene?
The InChIKey is RNOTYXKNLXTHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.3C14H14/c1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*3-10H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene?
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene has a molecular weight of 757.12 g/mol, XLogP of 16.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene is sourced from PubChem (CID 160676393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).