(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide

C25H22Br2P+ — CID 174764929

IUPAC(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
SMILESBr.Brc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrP.BrH/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;1H/q+1;
InChIKeyMIUPTFWVTVISEG-UHFFFAOYSA-N
MW513.23 g/mol
LogP6.52
Rot. Bonds5

About (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide

(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide (PubChem CID 174764929) has the molecular formula C25H22Br2P+ and a molecular weight of 513.23 g/mol. Its IUPAC name is (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
PubChem CID174764929
Molecular FormulaC25H22Br2P+
Molecular Weight513.23 g/mol
Exact Mass510.98
IUPAC Name(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
SMILESBr.Brc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrP.BrH/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;1H/q+1;
InChIKeyMIUPTFWVTVISEG-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.23
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
CID 131887795
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
(2-bromo-4-tert-butylphenyl)methyl-triphenylphosphanium bromide
CID 11226851
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-bromo-4-nitrophenyl)methyl-triphenylphosphanium
CID 87899109
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
(4-bromo-2-fluorophenyl)methyl-triphenylphosphanium bromide
CID 11114149

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide?
The IUPAC name of (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide (CID 174764929) is (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide.
What is the SMILES notation for (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide?
The canonical SMILES for (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide is Br.Brc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide?
The InChIKey is MIUPTFWVTVISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrP.BrH/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;1H/q+1;.
What are the key properties of (2-bromophenyl)methyl-triphenylphosphanium;hydrobromide?
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide has a molecular weight of 513.23 g/mol, XLogP of 6.52, 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;hydrobromide is sourced from PubChem (CID 174764929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).