potassium (3-methoxy-3-oxopropyl)-phenylphosphinate

C10H12KO4P — CID 175322070

IUPACpotassium (3-methoxy-3-oxopropyl)-phenylphosphinate
SMILESCOC(=O)CCP(=O)([O-])c1ccccc1.[K+]
InChIInChI=1S/C10H13O4P.K/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H,12,13);/q;+1/p-1
InChIKeySIVALCZJYCMMCN-UHFFFAOYSA-M
MW266.27 g/mol
LogP-2.48
Rot. Bonds4

About potassium (3-methoxy-3-oxopropyl)-phenylphosphinate

potassium (3-methoxy-3-oxopropyl)-phenylphosphinate (PubChem CID 175322070) has the molecular formula C10H12KO4P and a molecular weight of 266.27 g/mol. Its IUPAC name is potassium (3-methoxy-3-oxopropyl)-phenylphosphinate.

Molecular Properties

Compound Namepotassium (3-methoxy-3-oxopropyl)-phenylphosphinate
PubChem CID175322070
Molecular FormulaC10H12KO4P
Molecular Weight266.27 g/mol
Exact Mass266.01
IUPAC Namepotassium (3-methoxy-3-oxopropyl)-phenylphosphinate
SMILESCOC(=O)CCP(=O)([O-])c1ccccc1.[K+]
InChIInChI=1S/C10H13O4P.K/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H,12,13);/q;+1/p-1
InChIKeySIVALCZJYCMMCN-UHFFFAOYSA-M
XLogP-2.48
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-2.48
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

3-[oxido(phenyl)phosphoryl]propanoate
CID 86314491
butyl(phenyl)phosphinate
CID 51386598
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate;hydrobromide
CID 146120929
potassium methoxy(phenyl)phosphinate
CID 141246459
methyl 6-anilino-4,6-dioxo-5-(triphenyl-λ5-phosphanylidene)hexanoate
CID 13431000
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
CID 11999490
CID 11999490
[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride
CID 45261472
methyl (3R)-3-diphenylphosphoryl-3-phenylpropanoate
CID 102493910
methyl 3-diphenylphosphoryl-3-phenylpropanoate
CID 139256756
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089

Frequently Asked Questions

What is the IUPAC name of potassium (3-methoxy-3-oxopropyl)-phenylphosphinate?
The IUPAC name of potassium (3-methoxy-3-oxopropyl)-phenylphosphinate (CID 175322070) is potassium (3-methoxy-3-oxopropyl)-phenylphosphinate.
What is the SMILES notation for potassium (3-methoxy-3-oxopropyl)-phenylphosphinate?
The canonical SMILES for potassium (3-methoxy-3-oxopropyl)-phenylphosphinate is COC(=O)CCP(=O)([O-])c1ccccc1.[K+].
What is the InChIKey of potassium (3-methoxy-3-oxopropyl)-phenylphosphinate?
The InChIKey is SIVALCZJYCMMCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O4P.K/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium (3-methoxy-3-oxopropyl)-phenylphosphinate?
potassium (3-methoxy-3-oxopropyl)-phenylphosphinate has a molecular weight of 266.27 g/mol, XLogP of -2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-methoxy-3-oxopropyl)-phenylphosphinate is sourced from PubChem (CID 175322070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).