2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene

C17H19I — CID 155049009

IUPAC2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)C)c(C)c2)cc1I
InChIInChI=1S/C17H19I/c1-11(2)16-8-7-14(9-13(16)4)15-6-5-12(3)17(18)10-15/h5-11H,1-4H3
InChIKeyRUZJURBRQLMOKS-UHFFFAOYSA-N
MW350.24 g/mol
LogP5.70
Rot. Bonds2

About 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene

2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene (PubChem CID 155049009) has the molecular formula C17H19I and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene
PubChem CID155049009
Molecular FormulaC17H19I
Molecular Weight350.24 g/mol
Exact Mass350.05
IUPAC Name2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2ccc(C(C)C)c(C)c2)cc1I
InChIInChI=1S/C17H19I/c1-11(2)16-8-7-14(9-13(16)4)15-6-5-12(3)17(18)10-15/h5-11H,1-4H3
InChIKeyRUZJURBRQLMOKS-UHFFFAOYSA-N
XLogP5.70
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 ≤ 55.70
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-(3-methyl-4-propan-2-ylphenyl)benzene?
The IUPAC name of 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene (CID 155049009) is 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene?
The canonical SMILES for 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene is Cc1ccc(-c2ccc(C(C)C)c(C)c2)cc1I.
What is the InChIKey of 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene?
The InChIKey is RUZJURBRQLMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19I/c1-11(2)16-8-7-14(9-13(16)4)15-6-5-12(3)17(18)10-15/h5-11H,1-4H3.
What are the key properties of 2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene?
2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene has a molecular weight of 350.24 g/mol, XLogP of 5.70, 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-(3-methyl-4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 155049009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).