benzyl(triphenyl)phosphanium phenoxide

C31H27OP — CID 18469640

IUPACbenzyl(triphenyl)phosphanium phenoxide
SMILES[O-]c1ccccc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C6H6O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6/h1-20H,21H2;1-5,7H/q+1;/p-1
InChIKeyPVXOJLLWTFSXQR-UHFFFAOYSA-M
MW446.53 g/mol
LogP5.94
Rot. Bonds5

About benzyl(triphenyl)phosphanium phenoxide

benzyl(triphenyl)phosphanium phenoxide (PubChem CID 18469640) has the molecular formula C31H27OP and a molecular weight of 446.53 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium phenoxide.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium phenoxide
PubChem CID18469640
Molecular FormulaC31H27OP
Molecular Weight446.53 g/mol
Exact Mass446.18
IUPAC Namebenzyl(triphenyl)phosphanium phenoxide
SMILES[O-]c1ccccc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C6H6O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6/h1-20H,21H2;1-5,7H/q+1;/p-1
InChIKeyPVXOJLLWTFSXQR-UHFFFAOYSA-M
XLogP5.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.94
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

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
benzyl(triphenyl)phosphanium;N,N-diphenylaniline
CID 174624401
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
N-hydroxy-4-(triphenylphosphaniumylmethyl)benzeneamine oxide
CID 21126561
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
CID 86741343
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
CID 18000285

Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium phenoxide?
The IUPAC name of benzyl(triphenyl)phosphanium phenoxide (CID 18469640) is benzyl(triphenyl)phosphanium phenoxide.
What is the SMILES notation for benzyl(triphenyl)phosphanium phenoxide?
The canonical SMILES for benzyl(triphenyl)phosphanium phenoxide is [O-]c1ccccc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium phenoxide?
The InChIKey is PVXOJLLWTFSXQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P.C6H6O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6/h1-20H,21H2;1-5,7H/q+1;/p-1.
What are the key properties of benzyl(triphenyl)phosphanium phenoxide?
benzyl(triphenyl)phosphanium phenoxide has a molecular weight of 446.53 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium phenoxide is sourced from PubChem (CID 18469640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).