silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate

C22H20AgO6P — CID 101062757

IUPACsilver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate
SMILESO=C([O-])c1ccc(CO[P+]([O-])(OCc2ccccc2)OCc2ccccc2)cc1.[Ag+]
InChIInChI=1S/C22H21O6P.Ag/c23-22(24)21-13-11-20(12-14-21)17-28-29(25,26-15-18-7-3-1-4-8-18)27-16-19-9-5-2-6-10-19;/h1-14H,15-17H2,(H,23,24);/q;+1/p-1
InChIKeyMBLADSCABOGLSN-UHFFFAOYSA-M
MW519.24 g/mol
LogP3.04
Rot. Bonds10

About silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate

silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate (PubChem CID 101062757) has the molecular formula C22H20AgO6P and a molecular weight of 519.24 g/mol. Its IUPAC name is silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate.

Molecular Properties

Compound Namesilver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate
PubChem CID101062757
Molecular FormulaC22H20AgO6P
Molecular Weight519.24 g/mol
Exact Mass518.00
IUPAC Namesilver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate
SMILESO=C([O-])c1ccc(CO[P+]([O-])(OCc2ccccc2)OCc2ccccc2)cc1.[Ag+]
InChIInChI=1S/C22H21O6P.Ag/c23-22(24)21-13-11-20(12-14-21)17-28-29(25,26-15-18-7-3-1-4-8-18)27-16-19-9-5-2-6-10-19;/h1-14H,15-17H2,(H,23,24);/q;+1/p-1
InChIKeyMBLADSCABOGLSN-UHFFFAOYSA-M
XLogP3.04
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(phenylmethoxy)benzoate
CID 6986896
silver 4-(1,3-diphenyl-2-phosphaniumyloxypropan-2-yl)benzoate
CID 173278833
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
triazanium;tribenzoate
CID 161450646
azanium benzoate
CID 15830
calcium dibenzoate
CID 90470399
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421

Frequently Asked Questions

What is the IUPAC name of silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate?
The IUPAC name of silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate (CID 101062757) is silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate.
What is the SMILES notation for silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate?
The canonical SMILES for silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate is O=C([O-])c1ccc(CO[P+]([O-])(OCc2ccccc2)OCc2ccccc2)cc1.[Ag+].
What is the InChIKey of silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate?
The InChIKey is MBLADSCABOGLSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21O6P.Ag/c23-22(24)21-13-11-20(12-14-21)17-28-29(25,26-15-18-7-3-1-4-8-18)27-16-19-9-5-2-6-10-19;/h1-14H,15-17H2,(H,23,24);/q;+1/p-1.
What are the key properties of silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate?
silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate has a molecular weight of 519.24 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver 4-[[oxido-bis(phenylmethoxy)phosphaniumyl]oxymethyl]benzoate is sourced from PubChem (CID 101062757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).