6-phenoxyhexyl(triphenyl)phosphanium

C30H32OP+ — CID 71515133

IUPAC6-phenoxyhexyl(triphenyl)phosphanium
SMILESc1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32OP/c1(15-25-31-27-17-7-3-8-18-27)2-16-26-32(28-19-9-4-10-20-28,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2/q+1
InChIKeyUJBHUVXQANDVMP-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.62
Rot. Bonds11

About 6-phenoxyhexyl(triphenyl)phosphanium

6-phenoxyhexyl(triphenyl)phosphanium (PubChem CID 71515133) has the molecular formula C30H32OP+ and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-phenoxyhexyl(triphenyl)phosphanium.

Molecular Properties

Compound Name6-phenoxyhexyl(triphenyl)phosphanium
PubChem CID71515133
Molecular FormulaC30H32OP+
Molecular Weight439.56 g/mol
Exact Mass439.22
IUPAC Name6-phenoxyhexyl(triphenyl)phosphanium
SMILESc1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32OP/c1(15-25-31-27-17-7-3-8-18-27)2-16-26-32(28-19-9-4-10-20-28,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2/q+1
InChIKeyUJBHUVXQANDVMP-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.62
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

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
4-(4-formylphenoxy)butyl-triphenylphosphanium bromide
CID 159011152
2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium
CID 19755692
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
CID 19755661
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
7,7-dichloroheptoxybenzene
CID 90974620
4-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]butyl-triphenylphosphanium
CID 44589590
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981

Frequently Asked Questions

What is the IUPAC name of 6-phenoxyhexyl(triphenyl)phosphanium?
The IUPAC name of 6-phenoxyhexyl(triphenyl)phosphanium (CID 71515133) is 6-phenoxyhexyl(triphenyl)phosphanium.
What is the SMILES notation for 6-phenoxyhexyl(triphenyl)phosphanium?
The canonical SMILES for 6-phenoxyhexyl(triphenyl)phosphanium is c1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6-phenoxyhexyl(triphenyl)phosphanium?
The InChIKey is UJBHUVXQANDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32OP/c1(15-25-31-27-17-7-3-8-18-27)2-16-26-32(28-19-9-4-10-20-28,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2/q+1.
What are the key properties of 6-phenoxyhexyl(triphenyl)phosphanium?
6-phenoxyhexyl(triphenyl)phosphanium has a molecular weight of 439.56 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxyhexyl(triphenyl)phosphanium is sourced from PubChem (CID 71515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).