5-hydroxypentyl(triphenyl)phosphanium bromide

C23H26BrOP — CID 2784772

IUPAC5-hydroxypentyl(triphenyl)phosphanium bromide
SMILESOCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H26OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
InChIKeyKNJQJOPDTKDGLE-UHFFFAOYSA-M
MW429.34 g/mol
LogP1.15
Rot. Bonds8

About 5-hydroxypentyl(triphenyl)phosphanium bromide

5-hydroxypentyl(triphenyl)phosphanium bromide (PubChem CID 2784772) has the molecular formula C23H26BrOP and a molecular weight of 429.34 g/mol. Its IUPAC name is 5-hydroxypentyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name5-hydroxypentyl(triphenyl)phosphanium bromide
PubChem CID2784772
Molecular FormulaC23H26BrOP
Molecular Weight429.34 g/mol
Exact Mass428.09
IUPAC Name5-hydroxypentyl(triphenyl)phosphanium bromide
SMILESOCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H26OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
InChIKeyKNJQJOPDTKDGLE-UHFFFAOYSA-M
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl(triphenyl)phosphanium bromide?
The IUPAC name of 5-hydroxypentyl(triphenyl)phosphanium bromide (CID 2784772) is 5-hydroxypentyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 5-hydroxypentyl(triphenyl)phosphanium bromide?
The canonical SMILES for 5-hydroxypentyl(triphenyl)phosphanium bromide is OCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 5-hydroxypentyl(triphenyl)phosphanium bromide?
The InChIKey is KNJQJOPDTKDGLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1.
What are the key properties of 5-hydroxypentyl(triphenyl)phosphanium bromide?
5-hydroxypentyl(triphenyl)phosphanium bromide has a molecular weight of 429.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2784772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).