2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene

C21H28 — CID 22103899

IUPAC2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C21H28/c1-14(2)17-7-9-18(10-8-17)20-12-11-19(15(3)4)13-21(20)16(5)6/h7-16H,1-6H3
InChIKeyRRERUZFECKLPDE-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.72
Rot. Bonds4

About 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene

2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene (PubChem CID 22103899) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
PubChem CID22103899
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C21H28/c1-14(2)17-7-9-18(10-8-17)20-12-11-19(15(3)4)13-21(20)16(5)6/h7-16H,1-6H3
InChIKeyRRERUZFECKLPDE-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene (CID 22103899) is 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2ccc(C(C)C)cc2C(C)C)cc1.
What is the InChIKey of 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene?
The InChIKey is RRERUZFECKLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-14(2)17-7-9-18(10-8-17)20-12-11-19(15(3)4)13-21(20)16(5)6/h7-16H,1-6H3.
What are the key properties of 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene?
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene has a molecular weight of 280.45 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 22103899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).