silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate

C22H21AgO3P+ — CID 173278833

IUPACsilver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate
SMILESO=C([O-])c1ccc(C(Cc2ccccc2)(Cc2ccccc2)O[PH3+])cc1.[Ag+]
InChIInChI=1S/C22H21O3P.Ag/c23-21(24)19-11-13-20(14-12-19)22(25-26,15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;/h1-14H,15-16H2,26H3;/q;+1
InChIKeySHQASZLNZPNIOX-UHFFFAOYSA-N
MW472.25 g/mol
LogP3.27
Rot. Bonds7

About silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate

silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate (PubChem CID 173278833) has the molecular formula C22H21AgO3P+ and a molecular weight of 472.25 g/mol. Its IUPAC name is silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate.

Molecular Properties

Compound Namesilver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate
PubChem CID173278833
Molecular FormulaC22H21AgO3P+
Molecular Weight472.25 g/mol
Exact Mass471.03
IUPAC Namesilver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate
SMILESO=C([O-])c1ccc(C(Cc2ccccc2)(Cc2ccccc2)O[PH3+])cc1.[Ag+]
InChIInChI=1S/C22H21O3P.Ag/c23-21(24)19-11-13-20(14-12-19)22(25-26,15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;/h1-14H,15-16H2,26H3;/q;+1
InChIKeySHQASZLNZPNIOX-UHFFFAOYSA-N
XLogP3.27
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate?
The IUPAC name of silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate (CID 173278833) is silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate.
What is the SMILES notation for silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate?
The canonical SMILES for silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate is O=C([O-])c1ccc(C(Cc2ccccc2)(Cc2ccccc2)O[PH3+])cc1.[Ag+].
What is the InChIKey of silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate?
The InChIKey is SHQASZLNZPNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O3P.Ag/c23-21(24)19-11-13-20(14-12-19)22(25-26,15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;/h1-14H,15-16H2,26H3;/q;+1.
What are the key properties of silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate?
silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate has a molecular weight of 472.25 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate is sourced from PubChem (CID 173278833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).