[4-(bromomethyl)phenyl]-triphenylphosphanium

C25H21BrP+ — CID 102127372

IUPAC[4-(bromomethyl)phenyl]-triphenylphosphanium
SMILESBrCc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21BrP/c26-20-21-16-18-25(19-17-21)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2/q+1
InChIKeyQDFXTGPPPXDGND-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.20
Rot. Bonds5

About [4-(bromomethyl)phenyl]-triphenylphosphanium

[4-(bromomethyl)phenyl]-triphenylphosphanium (PubChem CID 102127372) has the molecular formula C25H21BrP+ and a molecular weight of 432.32 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl]-triphenylphosphanium
PubChem CID102127372
Molecular FormulaC25H21BrP+
Molecular Weight432.32 g/mol
Exact Mass431.06
IUPAC Name[4-(bromomethyl)phenyl]-triphenylphosphanium
SMILESBrCc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21BrP/c26-20-21-16-18-25(19-17-21)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2/q+1
InChIKeyQDFXTGPPPXDGND-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

palladium;tetraphenylphosphanium
CID 76575044
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
1,1'-biphenyl;bromomethylbenzene
CID 18398670
1-(bromomethyl)-4-ethylbenzene;ethylbenzene
CID 157176611
tetraphenylphosphanium;trifluorophosphane
CID 175419552
[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium
CID 58948118
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane
CID 164599439
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
bromomethylbenzene;phenol
CID 67440564
1-(bromomethyl)-4-trityloxybenzene
CID 45102982

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl]-triphenylphosphanium?
The IUPAC name of [4-(bromomethyl)phenyl]-triphenylphosphanium (CID 102127372) is [4-(bromomethyl)phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-(bromomethyl)phenyl]-triphenylphosphanium?
The canonical SMILES for [4-(bromomethyl)phenyl]-triphenylphosphanium is BrCc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl]-triphenylphosphanium?
The InChIKey is QDFXTGPPPXDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrP/c26-20-21-16-18-25(19-17-21)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2/q+1.
What are the key properties of [4-(bromomethyl)phenyl]-triphenylphosphanium?
[4-(bromomethyl)phenyl]-triphenylphosphanium has a molecular weight of 432.32 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)phenyl]-triphenylphosphanium is sourced from PubChem (CID 102127372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).