(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium

C25H20BrClP+ — CID 10745166

IUPAC(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium
SMILESClc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20BrClP/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1
InChIKeyRKCZPDNMYFMFMG-UHFFFAOYSA-N
MW466.77 g/mol
LogP6.60
Rot. Bonds5

About (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium

(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium (PubChem CID 10745166) has the molecular formula C25H20BrClP+ and a molecular weight of 466.77 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium
PubChem CID10745166
Molecular FormulaC25H20BrClP+
Molecular Weight466.77 g/mol
Exact Mass465.02
IUPAC Name(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium
SMILESClc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20BrClP/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1
InChIKeyRKCZPDNMYFMFMG-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.77
LogP ≤ 56.60
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

(2-Bromo-5-chloro-phenyl)methyl-triphenyl-phosphonium bromide
CID 10745165
(2-Bromophenyl)methyl-triphenylphosphanium
CID 11733968
(2-Bromophenyl)methylidene-triphenyl-lambda5-phosphane
CID 12266507
(Z)-1-bromo-2-(2-bromostyryl)-4-chlorobenzene
CID 86677619
(3-Chlorophenyl)methyl-triphenylphosphanium
CID 6332935
2-Bromobenzyltriphenylphosphonium chloride
CID 129799309
1-[Bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene
CID 134839562
1-bromo-2-[(Z)-2-[2-bromo-4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl]ethenyl]-4-chlorobenzene
CID 134943215
2-Bromo-4-chloro-1-(1-diphenylphosphoryl-3-phenylpropa-1,2-dienyl)benzene
CID 176423789
1-Bromo-2-[3-(4-chlorophenyl)-1-diphenylphosphorylpropa-1,2-dienyl]benzene
CID 176423802
[2-(2-Bromophenyl)-3-chlorophenyl]-bis(4-fluorophenyl)phosphane
CID 132851214
Bromo-[(3-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 12464997

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium (CID 10745166) is (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium is Clc1ccc(Br)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium?
The InChIKey is RKCZPDNMYFMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrClP/c26-25-17-16-21(27)18-20(25)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1.
What are the key properties of (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium?
(2-bromo-5-chlorophenyl)methyl-triphenylphosphanium has a molecular weight of 466.77 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 10745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).