1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene

C18H22 — CID 139907976

IUPAC1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
SMILESCc1ccccc1-c1c(C)cccc1CC(C)C
InChIInChI=1S/C18H22/c1-13(2)12-16-10-7-9-15(4)18(16)17-11-6-5-8-14(17)3/h5-11,13H,12H2,1-4H3
InChIKeyZDDIFGXVRZEZOI-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.17
Rot. Bonds3

About 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene

1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene (PubChem CID 139907976) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
PubChem CID139907976
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
SMILESCc1ccccc1-c1c(C)cccc1CC(C)C
InChIInChI=1S/C18H22/c1-13(2)12-16-10-7-9-15(4)18(16)17-11-6-5-8-14(17)3/h5-11,13H,12H2,1-4H3
InChIKeyZDDIFGXVRZEZOI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene (CID 139907976) is 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene is Cc1ccccc1-c1c(C)cccc1CC(C)C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene?
The InChIKey is ZDDIFGXVRZEZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13(2)12-16-10-7-9-15(4)18(16)17-11-6-5-8-14(17)3/h5-11,13H,12H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene?
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 139907976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).