butyl(phenyl)iodanium

C10H14I+ — CID 87304112

IUPACbutyl(phenyl)iodanium
SMILESCCCC[I+]c1ccccc1
InChIInChI=1S/C10H14I/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/q+1
InChIKeyRBPHOYXWXDXPCX-UHFFFAOYSA-N
MW261.13 g/mol
LogP-0.25
Rot. Bonds4

About butyl(phenyl)iodanium

butyl(phenyl)iodanium (PubChem CID 87304112) has the molecular formula C10H14I+ and a molecular weight of 261.13 g/mol. Its IUPAC name is butyl(phenyl)iodanium.

Molecular Properties

Compound Namebutyl(phenyl)iodanium
PubChem CID87304112
Molecular FormulaC10H14I+
Molecular Weight261.13 g/mol
Exact Mass261.01
IUPAC Namebutyl(phenyl)iodanium
SMILESCCCC[I+]c1ccccc1
InChIInChI=1S/C10H14I/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/q+1
InChIKeyRBPHOYXWXDXPCX-UHFFFAOYSA-N
XLogP-0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(phenyl)iodanium?
The IUPAC name of butyl(phenyl)iodanium (CID 87304112) is butyl(phenyl)iodanium.
What is the SMILES notation for butyl(phenyl)iodanium?
The canonical SMILES for butyl(phenyl)iodanium is CCCC[I+]c1ccccc1.
What is the InChIKey of butyl(phenyl)iodanium?
The InChIKey is RBPHOYXWXDXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14I/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/q+1.
What are the key properties of butyl(phenyl)iodanium?
butyl(phenyl)iodanium has a molecular weight of 261.13 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)iodanium is sourced from PubChem (CID 87304112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).