4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene

C19H24 — CID 163976840

IUPAC4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1
InChIInChI=1S/C19H24/c1-14-6-9-17(10-7-14)18-11-8-16(12-15(18)2)13-19(3,4)5/h6-12H,13H2,1-5H3
InChIKeyYHAYDINPDFDGSA-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.56
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene

4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene (PubChem CID 163976840) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
PubChem CID163976840
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1
InChIInChI=1S/C19H24/c1-14-6-9-17(10-7-14)18-11-8-16(12-15(18)2)13-19(3,4)5/h6-12H,13H2,1-5H3
InChIKeyYHAYDINPDFDGSA-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
CID 91541835
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
CID 177221556
1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
CID 165172707
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
8-(2,2-dimethylpropyl)-3,5,5-trimethylbenzo[b][1]benzogermole
CID 164937401
[4-(3,5-dimethylphenyl)-3-methylphenyl]methanamine
CID 66480214
4-(2,2-dimethylpropyl)-2-(4-methylphenyl)pyridine
CID 162485913
1,6-dimethylazulene
CID 10855725
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene (CID 163976840) is 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(CC(C)(C)C)cc2C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene?
The InChIKey is YHAYDINPDFDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-14-6-9-17(10-7-14)18-11-8-16(12-15(18)2)13-19(3,4)5/h6-12H,13H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene?
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene is sourced from PubChem (CID 163976840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).