1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane

C19H26 — CID 161201714

IUPAC1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccccc2CC(C)(C)C)cc1
InChIInChI=1S/C18H22.CH4/c1-14-9-11-15(12-10-14)17-8-6-5-7-16(17)13-18(2,3)4;/h5-12H,13H2,1-4H3;1H4
InChIKeyUVBITHZZNMKLCD-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.89
Rot. Bonds2

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

1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane (PubChem CID 161201714) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
PubChem CID161201714
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccccc2CC(C)(C)C)cc1
InChIInChI=1S/C18H22.CH4/c1-14-9-11-15(12-10-14)17-8-6-5-7-16(17)13-18(2,3)4;/h5-12H,13H2,1-4H3;1H4
InChIKeyUVBITHZZNMKLCD-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane (CID 161201714) is 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane is C.Cc1ccc(-c2ccccc2CC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane?
The InChIKey is UVBITHZZNMKLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.CH4/c1-14-9-11-15(12-10-14)17-8-6-5-7-16(17)13-18(2,3)4;/h5-12H,13H2,1-4H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane?
1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane has a molecular weight of 254.42 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane is sourced from PubChem (CID 161201714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).