1-cyclobutyl-4-iodobenzene

C10H11I — CID 155973384

IUPAC1-cyclobutyl-4-iodobenzene
SMILESIc1ccc(C2CCC2)cc1
InChIInChI=1S/C10H11I/c11-10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2
InChIKeyUIJJPRKTQCVFGO-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.56
Rot. Bonds1

About 1-cyclobutyl-4-iodobenzene

1-cyclobutyl-4-iodobenzene (PubChem CID 155973384) has the molecular formula C10H11I and a molecular weight of 258.10 g/mol. Its IUPAC name is 1-cyclobutyl-4-iodobenzene.

Molecular Properties

Compound Name1-cyclobutyl-4-iodobenzene
PubChem CID155973384
Molecular FormulaC10H11I
Molecular Weight258.10 g/mol
Exact Mass257.99
IUPAC Name1-cyclobutyl-4-iodobenzene
SMILESIc1ccc(C2CCC2)cc1
InChIInChI=1S/C10H11I/c11-10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2
InChIKeyUIJJPRKTQCVFGO-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.56
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 1-cyclobutyl-4-iodobenzene?
The IUPAC name of 1-cyclobutyl-4-iodobenzene (CID 155973384) is 1-cyclobutyl-4-iodobenzene.
What is the SMILES notation for 1-cyclobutyl-4-iodobenzene?
The canonical SMILES for 1-cyclobutyl-4-iodobenzene is Ic1ccc(C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-iodobenzene?
The InChIKey is UIJJPRKTQCVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11I/c11-10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2.
What are the key properties of 1-cyclobutyl-4-iodobenzene?
1-cyclobutyl-4-iodobenzene has a molecular weight of 258.10 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-iodobenzene is sourced from PubChem (CID 155973384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).