4-bromobutyl(triphenyl)phosphanium bromide

C22H23Br2P — CID 2733851

IUPAC4-bromobutyl(triphenyl)phosphanium bromide
SMILESBrCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23BrP.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;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyBJDNCJGRAMGIRU-UHFFFAOYSA-M
MW478.21 g/mol
LogP2.16
Rot. Bonds7

About 4-bromobutyl(triphenyl)phosphanium bromide

4-bromobutyl(triphenyl)phosphanium bromide (PubChem CID 2733851) has the molecular formula C22H23Br2P and a molecular weight of 478.21 g/mol. Its IUPAC name is 4-bromobutyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name4-bromobutyl(triphenyl)phosphanium bromide
PubChem CID2733851
Molecular FormulaC22H23Br2P
Molecular Weight478.21 g/mol
Exact Mass475.99
IUPAC Name4-bromobutyl(triphenyl)phosphanium bromide
SMILESBrCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23BrP.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;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyBJDNCJGRAMGIRU-UHFFFAOYSA-M
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl(triphenyl)phosphanium bromide?
The IUPAC name of 4-bromobutyl(triphenyl)phosphanium bromide (CID 2733851) is 4-bromobutyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 4-bromobutyl(triphenyl)phosphanium bromide?
The canonical SMILES for 4-bromobutyl(triphenyl)phosphanium bromide is BrCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 4-bromobutyl(triphenyl)phosphanium bromide?
The InChIKey is BJDNCJGRAMGIRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23BrP.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;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1.
What are the key properties of 4-bromobutyl(triphenyl)phosphanium bromide?
4-bromobutyl(triphenyl)phosphanium bromide has a molecular weight of 478.21 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2733851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).