4-hydroxybutyl(triphenyl)phosphanium bromide

C22H24BrOP — CID 11647313

IUPAC4-hydroxybutyl(triphenyl)phosphanium bromide
SMILESOCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H24OP.BrH/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyNQPXQJXVGAHQJI-UHFFFAOYSA-M
MW415.31 g/mol
LogP0.76
Rot. Bonds7

About 4-hydroxybutyl(triphenyl)phosphanium bromide

4-hydroxybutyl(triphenyl)phosphanium bromide (PubChem CID 11647313) has the molecular formula C22H24BrOP and a molecular weight of 415.31 g/mol. Its IUPAC name is 4-hydroxybutyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name4-hydroxybutyl(triphenyl)phosphanium bromide
PubChem CID11647313
Molecular FormulaC22H24BrOP
Molecular Weight415.31 g/mol
Exact Mass414.07
IUPAC Name4-hydroxybutyl(triphenyl)phosphanium bromide
SMILESOCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H24OP.BrH/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyNQPXQJXVGAHQJI-UHFFFAOYSA-M
XLogP0.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 50.76
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 4-hydroxybutyl(triphenyl)phosphanium bromide?
The IUPAC name of 4-hydroxybutyl(triphenyl)phosphanium bromide (CID 11647313) is 4-hydroxybutyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 4-hydroxybutyl(triphenyl)phosphanium bromide?
The canonical SMILES for 4-hydroxybutyl(triphenyl)phosphanium bromide is OCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 4-hydroxybutyl(triphenyl)phosphanium bromide?
The InChIKey is NQPXQJXVGAHQJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24OP.BrH/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1.
What are the key properties of 4-hydroxybutyl(triphenyl)phosphanium bromide?
4-hydroxybutyl(triphenyl)phosphanium bromide has a molecular weight of 415.31 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 11647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).