bromosilver;tris(4-methylphenyl) phosphate

C21H21AgBrO4P — CID 160750734

IUPACbromosilver;tris(4-methylphenyl) phosphate
SMILESBr[Ag].Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H21O4P.Ag.BrH/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H/q;+1;/p-1
InChIKeyRWTZBDDCIVFOCH-UHFFFAOYSA-M
MW556.14 g/mol
LogP7.10
Rot. Bonds6

About bromosilver;tris(4-methylphenyl) phosphate

bromosilver;tris(4-methylphenyl) phosphate (PubChem CID 160750734) has the molecular formula C21H21AgBrO4P and a molecular weight of 556.14 g/mol. Its IUPAC name is bromosilver;tris(4-methylphenyl) phosphate.

Molecular Properties

Compound Namebromosilver;tris(4-methylphenyl) phosphate
PubChem CID160750734
Molecular FormulaC21H21AgBrO4P
Molecular Weight556.14 g/mol
Exact Mass553.94
IUPAC Namebromosilver;tris(4-methylphenyl) phosphate
SMILESBr[Ag].Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H21O4P.Ag.BrH/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H/q;+1;/p-1
InChIKeyRWTZBDDCIVFOCH-UHFFFAOYSA-M
XLogP7.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.14
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 67928069
CID 67928069
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CID 174515145
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magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
isocyanic acid;tris(4-methylphenyl) phosphate
CID 174832408
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838

Frequently Asked Questions

What is the IUPAC name of bromosilver;tris(4-methylphenyl) phosphate?
The IUPAC name of bromosilver;tris(4-methylphenyl) phosphate (CID 160750734) is bromosilver;tris(4-methylphenyl) phosphate.
What is the SMILES notation for bromosilver;tris(4-methylphenyl) phosphate?
The canonical SMILES for bromosilver;tris(4-methylphenyl) phosphate is Br[Ag].Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.
What is the InChIKey of bromosilver;tris(4-methylphenyl) phosphate?
The InChIKey is RWTZBDDCIVFOCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21O4P.Ag.BrH/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H/q;+1;/p-1.
What are the key properties of bromosilver;tris(4-methylphenyl) phosphate?
bromosilver;tris(4-methylphenyl) phosphate has a molecular weight of 556.14 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromosilver;tris(4-methylphenyl) phosphate is sourced from PubChem (CID 160750734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).