benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate

C26H24F6OP2 — CID 174642384

IUPACbenzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
SMILESCOc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C26H24OP.F6P/c1-27-25-19-11-12-20-26(25)28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)21-22-13-5-2-6-14-22;1-7(2,3,4,5)6/h2-20H,21H2,1H3;/q+1;-1
InChIKeyWEVANGCIZVCGII-UHFFFAOYSA-N
MW528.41 g/mol
LogP8.57
Rot. Bonds6

About benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate

benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate (PubChem CID 174642384) has the molecular formula C26H24F6OP2 and a molecular weight of 528.41 g/mol. Its IUPAC name is benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate.

Molecular Properties

Compound Namebenzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
PubChem CID174642384
Molecular FormulaC26H24F6OP2
Molecular Weight528.41 g/mol
Exact Mass528.12
IUPAC Namebenzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
SMILESCOc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C26H24OP.F6P/c1-27-25-19-11-12-20-26(25)28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)21-22-13-5-2-6-14-22;1-7(2,3,4,5)6/h2-20H,21H2,1H3;/q+1;-1
InChIKeyWEVANGCIZVCGII-UHFFFAOYSA-N
XLogP8.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.41
LogP ≤ 58.57
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

benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium
CID 140705355
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
CID 172713249

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate?
The IUPAC name of benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate (CID 174642384) is benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate.
What is the SMILES notation for benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate?
The canonical SMILES for benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate is COc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate?
The InChIKey is WEVANGCIZVCGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24OP.F6P/c1-27-25-19-11-12-20-26(25)28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)21-22-13-5-2-6-14-22;1-7(2,3,4,5)6/h2-20H,21H2,1H3;/q+1;-1.
What are the key properties of benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate?
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate has a molecular weight of 528.41 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate is sourced from PubChem (CID 174642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).