(2-bromophenyl)methyl-triphenylphosphanium

C25H21BrP+ — CID 11733968

IUPAC(2-bromophenyl)methyl-triphenylphosphanium
SMILESBrc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2/q+1
InChIKeyKUACCCYMAOARLT-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.94
Rot. Bonds5

About (2-bromophenyl)methyl-triphenylphosphanium

(2-bromophenyl)methyl-triphenylphosphanium (PubChem CID 11733968) has the molecular formula C25H21BrP+ and a molecular weight of 432.32 g/mol. Its IUPAC name is (2-bromophenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-bromophenyl)methyl-triphenylphosphanium
PubChem CID11733968
Molecular FormulaC25H21BrP+
Molecular Weight432.32 g/mol
Exact Mass431.06
IUPAC Name(2-bromophenyl)methyl-triphenylphosphanium
SMILESBrc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2/q+1
InChIKeyKUACCCYMAOARLT-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium (CID 11733968) is (2-bromophenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-bromophenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-bromophenyl)methyl-triphenylphosphanium is Brc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromophenyl)methyl-triphenylphosphanium?
The InChIKey is KUACCCYMAOARLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2/q+1.
What are the key properties of (2-bromophenyl)methyl-triphenylphosphanium?
(2-bromophenyl)methyl-triphenylphosphanium has a molecular weight of 432.32 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 11733968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).