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

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Related Compounds

1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
CID 173271154
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde
CID 63424861
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
4-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline
CID 67928645
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
2,4-di(propan-2-yl)phenol
CID 18048
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
5-fluoro-2-(4-propan-2-ylphenyl)phenol
CID 83131035

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).