cesium diphenyl phosphate

C12H10CsO4P — CID 23664598

IUPACcesium diphenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cs+]
InChIInChI=1S/C12H11O4P.Cs/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyBLFBQSCQMBTTLN-UHFFFAOYSA-M
MW382.09 g/mol
LogP-0.38
Rot. Bonds4

About cesium diphenyl phosphate

cesium diphenyl phosphate (PubChem CID 23664598) has the molecular formula C12H10CsO4P and a molecular weight of 382.09 g/mol. Its IUPAC name is cesium diphenyl phosphate.

Molecular Properties

Compound Namecesium diphenyl phosphate
PubChem CID23664598
Molecular FormulaC12H10CsO4P
Molecular Weight382.09 g/mol
Exact Mass381.94
IUPAC Namecesium diphenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cs+]
InChIInChI=1S/C12H11O4P.Cs/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyBLFBQSCQMBTTLN-UHFFFAOYSA-M
XLogP-0.38
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 5-0.38
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

potassium diphenyl phosphate
CID 23671717
(4-chlorophenyl) phenyl phosphate
CID 71363636
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
cesium phenyl hydrogen phosphate
CID 175568082
phenyl (2-phenylphenyl) phosphate
CID 22709121
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
(2,3-dihydroxyphenyl) phenyl phosphate
CID 22456918
chloro(phenoxy)phosphinate
CID 71354399
(2,3-dimethylphenyl) phenyl phosphate
CID 21201140
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
benzoyl phenyl phosphate
CID 21138904

Frequently Asked Questions

What is the IUPAC name of cesium diphenyl phosphate?
The IUPAC name of cesium diphenyl phosphate (CID 23664598) is cesium diphenyl phosphate.
What is the SMILES notation for cesium diphenyl phosphate?
The canonical SMILES for cesium diphenyl phosphate is O=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cs+].
What is the InChIKey of cesium diphenyl phosphate?
The InChIKey is BLFBQSCQMBTTLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O4P.Cs/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1.
What are the key properties of cesium diphenyl phosphate?
cesium diphenyl phosphate has a molecular weight of 382.09 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium diphenyl phosphate is sourced from PubChem (CID 23664598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).