1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene

C27H30 — CID 143438669

IUPAC1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
SMILESC.Cc1ccc(C)c(-c2ccccc2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16.C11H10.CH4/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2;1-9-6-7-10-4-2-3-5-11(10)8-9;/h4-10H,1-3H3;2-8H,1H3;1H4
InChIKeyIORIADRWCDVWFD-UHFFFAOYSA-N
MW354.54 g/mol
LogP8.06
Rot. Bonds1

About 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene

1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene (PubChem CID 143438669) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
PubChem CID143438669
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
SMILESC.Cc1ccc(C)c(-c2ccccc2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16.C11H10.CH4/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2;1-9-6-7-10-4-2-3-5-11(10)8-9;/h4-10H,1-3H3;2-8H,1H3;1H4
InChIKeyIORIADRWCDVWFD-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene?
The IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene (CID 143438669) is 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene is C.Cc1ccc(C)c(-c2ccccc2C)c1.Cc1ccc2ccccc2c1.
What is the InChIKey of 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene?
The InChIKey is IORIADRWCDVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C11H10.CH4/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2;1-9-6-7-10-4-2-3-5-11(10)8-9;/h4-10H,1-3H3;2-8H,1H3;1H4.
What are the key properties of 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene?
1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene has a molecular weight of 354.54 g/mol, XLogP of 8.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene is sourced from PubChem (CID 143438669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).