4-methoxybutyl(triphenyl)phosphanium

C23H26OP+ — CID 86618875

IUPAC4-methoxybutyl(triphenyl)phosphanium
SMILESCOCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26OP/c1-24-19-11-12-20-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1
InChIKeySPHHXYRIXYJUGU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.41
Rot. Bonds8

About 4-methoxybutyl(triphenyl)phosphanium

4-methoxybutyl(triphenyl)phosphanium (PubChem CID 86618875) has the molecular formula C23H26OP+ and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-methoxybutyl(triphenyl)phosphanium.

Molecular Properties

Compound Name4-methoxybutyl(triphenyl)phosphanium
PubChem CID86618875
Molecular FormulaC23H26OP+
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name4-methoxybutyl(triphenyl)phosphanium
SMILESCOCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26OP/c1-24-19-11-12-20-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1
InChIKeySPHHXYRIXYJUGU-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
hexyl(triphenyl)phosphanium
CID 2724570
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
CID 71386152
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
5-methoxyheptyl(triphenyl)phosphanium
CID 86248653
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
CID 101437845

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl(triphenyl)phosphanium?
The IUPAC name of 4-methoxybutyl(triphenyl)phosphanium (CID 86618875) is 4-methoxybutyl(triphenyl)phosphanium.
What is the SMILES notation for 4-methoxybutyl(triphenyl)phosphanium?
The canonical SMILES for 4-methoxybutyl(triphenyl)phosphanium is COCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methoxybutyl(triphenyl)phosphanium?
The InChIKey is SPHHXYRIXYJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26OP/c1-24-19-11-12-20-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1.
What are the key properties of 4-methoxybutyl(triphenyl)phosphanium?
4-methoxybutyl(triphenyl)phosphanium has a molecular weight of 349.43 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl(triphenyl)phosphanium is sourced from PubChem (CID 86618875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).