1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene

C20H26 — CID 162137474

IUPAC1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1C
InChIInChI=1S/C20H26/c1-14-7-9-18(12-15(14)2)19-10-8-17(11-16(19)3)13-20(4,5)6/h7-12H,13H2,1-6H3
InChIKeySOPXVBCCGTXRNP-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.87
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene

1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene (PubChem CID 162137474) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
PubChem CID162137474
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1C
InChIInChI=1S/C20H26/c1-14-7-9-18(12-15(14)2)19-10-8-17(11-16(19)3)13-20(4,5)6/h7-12H,13H2,1-6H3
InChIKeySOPXVBCCGTXRNP-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
CID 165172707
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
CID 91541835
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
CID 162223528
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
6-(2,2-dimethylpropyl)-2-methyl-1-(2-methyl-4-phenylphenyl)isoquinolin-2-ium
CID 155639193
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
CID 177221556
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 160661708

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene (CID 162137474) is 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene is Cc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene?
The InChIKey is SOPXVBCCGTXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14-7-9-18(12-15(14)2)19-10-8-17(11-16(19)3)13-20(4,5)6/h7-12H,13H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene?
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene is sourced from PubChem (CID 162137474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).