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

C21H28 — CID 170780571

IUPAC1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)(C)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C21H28/c1-15(2)17-12-13-20(19(14-17)16(3)4)21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3
InChIKeyQDPKEBDOYIOLAK-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.26
Rot. Bonds4

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

1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene (PubChem CID 170780571) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
PubChem CID170780571
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)(C)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C21H28/c1-15(2)17-12-13-20(19(14-17)16(3)4)21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3
InChIKeyQDPKEBDOYIOLAK-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
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CID 173025915
4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 58904157
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
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1-propan-2-yl-2-tritylbenzene
CID 168730792
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene (CID 170780571) is 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)(C)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene?
The InChIKey is QDPKEBDOYIOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-15(2)17-12-13-20(19(14-17)16(3)4)21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3.
What are the key properties of 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene?
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene has a molecular weight of 280.45 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 170780571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).