triphenyl(phenylmethoxymethyl)phosphanium bromide

C26H24BrOP — CID 87779262

IUPACtriphenyl(phenylmethoxymethyl)phosphanium bromide
SMILES[Br-].c1ccc(COC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24OP.BrH/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
InChIKeyGPPQCYYDPMQCAE-UHFFFAOYSA-M
MW463.36 g/mol
LogP2.16
Rot. Bonds7

About triphenyl(phenylmethoxymethyl)phosphanium bromide

triphenyl(phenylmethoxymethyl)phosphanium bromide (PubChem CID 87779262) has the molecular formula C26H24BrOP and a molecular weight of 463.36 g/mol. Its IUPAC name is triphenyl(phenylmethoxymethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(phenylmethoxymethyl)phosphanium bromide
PubChem CID87779262
Molecular FormulaC26H24BrOP
Molecular Weight463.36 g/mol
Exact Mass462.07
IUPAC Nametriphenyl(phenylmethoxymethyl)phosphanium bromide
SMILES[Br-].c1ccc(COC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24OP.BrH/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
InChIKeyGPPQCYYDPMQCAE-UHFFFAOYSA-M
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
CID 66734377
CID 66734377
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
ethane;phenylmethoxymethylbenzene
CID 90943549
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
[2-(chloromethylsulfanyl)-3-phenylmethoxypropoxy]methylbenzene
CID 15612776
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[3-methyl-2-(propan-2-ylsulfanylmethyl)butoxy]methylbenzene
CID 172547820
methoxymethyl(triphenyl)phosphanium;hydrate
CID 87989481
4-(phenylmethoxymethyl)aniline
CID 11701294

Frequently Asked Questions

What is the IUPAC name of triphenyl(phenylmethoxymethyl)phosphanium bromide?
The IUPAC name of triphenyl(phenylmethoxymethyl)phosphanium bromide (CID 87779262) is triphenyl(phenylmethoxymethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(phenylmethoxymethyl)phosphanium bromide?
The canonical SMILES for triphenyl(phenylmethoxymethyl)phosphanium bromide is [Br-].c1ccc(COC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(phenylmethoxymethyl)phosphanium bromide?
The InChIKey is GPPQCYYDPMQCAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24OP.BrH/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1.
What are the key properties of triphenyl(phenylmethoxymethyl)phosphanium bromide?
triphenyl(phenylmethoxymethyl)phosphanium bromide has a molecular weight of 463.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(phenylmethoxymethyl)phosphanium bromide is sourced from PubChem (CID 87779262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).