2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C17H19I — CID 90144939

IUPAC2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(I)c2)cc1
InChIInChI=1S/C17H19I/c1-12-5-8-14(9-6-12)17(3,4)15-10-7-13(2)16(18)11-15/h5-11H,1-4H3
InChIKeyQFLBSRRQARGZIY-UHFFFAOYSA-N
MW350.24 g/mol
LogP5.23
Rot. Bonds2

About 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 90144939) has the molecular formula C17H19I and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID90144939
Molecular FormulaC17H19I
Molecular Weight350.24 g/mol
Exact Mass350.05
IUPAC Name2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(I)c2)cc1
InChIInChI=1S/C17H19I/c1-12-5-8-14(9-6-12)17(3,4)15-10-7-13(2)16(18)11-15/h5-11H,1-4H3
InChIKeyQFLBSRRQARGZIY-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 90144939) is 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is Cc1ccc(C(C)(C)c2ccc(C)c(I)c2)cc1.
What is the InChIKey of 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is QFLBSRRQARGZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19I/c1-12-5-8-14(9-6-12)17(3,4)15-10-7-13(2)16(18)11-15/h5-11H,1-4H3.
What are the key properties of 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 350.24 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 90144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).