potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium

C8H12KO5P2+ — CID 173336767

IUPACpotassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium
SMILESO=[PH+]OC(Cc1ccccc1)P(=O)(O)O.[H-].[K+]
InChIInChI=1S/C8H10O5P2.K.H/c9-14-13-8(15(10,11)12)6-7-4-2-1-3-5-7;;/h1-5,8,14H,6H2,(H-,10,11,12);;/q;+1;-1/p+1
InChIKeyXYCKATUFDCGQJO-UHFFFAOYSA-O
MW289.22 g/mol
LogP-1.20
Rot. Bonds5

About potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium

potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium (PubChem CID 173336767) has the molecular formula C8H12KO5P2+ and a molecular weight of 289.22 g/mol. Its IUPAC name is potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium.

Molecular Properties

Compound Namepotassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium
PubChem CID173336767
Molecular FormulaC8H12KO5P2+
Molecular Weight289.22 g/mol
Exact Mass288.98
IUPAC Namepotassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium
SMILESO=[PH+]OC(Cc1ccccc1)P(=O)(O)O.[H-].[K+]
InChIInChI=1S/C8H10O5P2.K.H/c9-14-13-8(15(10,11)12)6-7-4-2-1-3-5-7;;/h1-5,8,14H,6H2,(H-,10,11,12);;/q;+1;-1/p+1
InChIKeyXYCKATUFDCGQJO-UHFFFAOYSA-O
XLogP-1.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
(1-borono-2-phenylethyl)phosphonic acid
CID 100963642
2-[bis(phosphonomethyl)amino]-3-phenylpropanoic acid
CID 23728656
(4,4-dihydroxy-1-phenylbutan-2-yl)phosphonic acid
CID 56977688
[(2-phenyl-1-phosphonoethyl)amino]methylphosphonic acid
CID 87272137
1-phenoxypropylphosphonic acid
CID 22151507
1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
CID 87705885
bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
[1-[(2-chloroacetyl)amino]-2-phenylethyl]phosphonic acid
CID 14210110
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
benzylbenzene;phosphoric acid
CID 161249494

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium?
The IUPAC name of potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium (CID 173336767) is potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium.
What is the SMILES notation for potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium?
The canonical SMILES for potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium is O=[PH+]OC(Cc1ccccc1)P(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium?
The InChIKey is XYCKATUFDCGQJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10O5P2.K.H/c9-14-13-8(15(10,11)12)6-7-4-2-1-3-5-7;;/h1-5,8,14H,6H2,(H-,10,11,12);;/q;+1;-1/p+1.
What are the key properties of potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium?
potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium has a molecular weight of 289.22 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium is sourced from PubChem (CID 173336767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).