1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene

C21H28 — CID 163668395

IUPAC1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
SMILESCc1cc(CC(C)C)ccc1-c1ccc(C)c(C(C)C)c1
InChIInChI=1S/C21H28/c1-14(2)11-18-8-10-20(17(6)12-18)19-9-7-16(5)21(13-19)15(3)4/h7-10,12-15H,11H2,1-6H3
InChIKeyBSFPNMHLJOKUDC-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.29
Rot. Bonds4

About 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene

1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene (PubChem CID 163668395) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
PubChem CID163668395
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
SMILESCc1cc(CC(C)C)ccc1-c1ccc(C)c(C(C)C)c1
InChIInChI=1S/C21H28/c1-14(2)11-18-8-10-20(17(6)12-18)19-9-7-16(5)21(13-19)15(3)4/h7-10,12-15H,11H2,1-6H3
InChIKeyBSFPNMHLJOKUDC-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene (CID 163668395) is 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene is Cc1cc(CC(C)C)ccc1-c1ccc(C)c(C(C)C)c1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene?
The InChIKey is BSFPNMHLJOKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-14(2)11-18-8-10-20(17(6)12-18)19-9-7-16(5)21(13-19)15(3)4/h7-10,12-15H,11H2,1-6H3.
What are the key properties of 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene?
1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene has a molecular weight of 280.46 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 163668395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).