1-iodobutyl-oxo-phenylphosphanium

C10H13IOP+ — CID 163843662

IUPAC1-iodobutyl-oxo-phenylphosphanium
SMILESCCCC(I)[P+](=O)c1ccccc1
InChIInChI=1S/C10H13IOP/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3/q+1
InChIKeyGAPHUTYKZWYILQ-UHFFFAOYSA-N
MW307.09 g/mol
LogP3.70
Rot. Bonds4

About 1-iodobutyl-oxo-phenylphosphanium

1-iodobutyl-oxo-phenylphosphanium (PubChem CID 163843662) has the molecular formula C10H13IOP+ and a molecular weight of 307.09 g/mol. Its IUPAC name is 1-iodobutyl-oxo-phenylphosphanium.

Molecular Properties

Compound Name1-iodobutyl-oxo-phenylphosphanium
PubChem CID163843662
Molecular FormulaC10H13IOP+
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name1-iodobutyl-oxo-phenylphosphanium
SMILESCCCC(I)[P+](=O)c1ccccc1
InChIInChI=1S/C10H13IOP/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3/q+1
InChIKeyGAPHUTYKZWYILQ-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxo-phenyl-propylphosphanium
CID 19035096
2-triphenylphosphaniumylpentanethioate
CID 12561676
3-methylbutyl-oxo-phenylphosphanium
CID 141015924
(1-iodo-2-methylpentyl)benzene
CID 174742530
3-iodo-1-phenylhexan-2-one
CID 10990286
[1-(2-chloroethoxy)-2-ethoxy-2-oxoethyl]-oxo-phenylphosphanium
CID 67707740
1-fluorobutylsulfinylbenzene
CID 10954577
pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
methanol;oxo(diphenyl)phosphanium
CID 174996285
pentan-2-ylbenzene
CID 17627
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
diphenyl(dipropyl)phosphanium chloride
CID 69307646

Frequently Asked Questions

What is the IUPAC name of 1-iodobutyl-oxo-phenylphosphanium?
The IUPAC name of 1-iodobutyl-oxo-phenylphosphanium (CID 163843662) is 1-iodobutyl-oxo-phenylphosphanium.
What is the SMILES notation for 1-iodobutyl-oxo-phenylphosphanium?
The canonical SMILES for 1-iodobutyl-oxo-phenylphosphanium is CCCC(I)[P+](=O)c1ccccc1.
What is the InChIKey of 1-iodobutyl-oxo-phenylphosphanium?
The InChIKey is GAPHUTYKZWYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IOP/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3/q+1.
What are the key properties of 1-iodobutyl-oxo-phenylphosphanium?
1-iodobutyl-oxo-phenylphosphanium has a molecular weight of 307.09 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodobutyl-oxo-phenylphosphanium is sourced from PubChem (CID 163843662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).