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

C18H22 — CID 519615

IUPAC1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3
InChIKeyNUEUMFZLNOCRCQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.60
Rot. Bonds3

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

1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene (PubChem CID 519615) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene
PubChem CID519615
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3
InChIKeyNUEUMFZLNOCRCQ-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
P-Xylene
CID 7809
Perthane
CID 6295
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
Isobutylbenzene
CID 10870

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene (CID 519615) is 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is NUEUMFZLNOCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene?
1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 519615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).