methoxy(propanoyl)phosphinic acid

C4H9O4P — CID 10154259

IUPACmethoxy(propanoyl)phosphinic acid
SMILESCCC(=O)P(=O)(O)OC
InChIInChI=1S/C4H9O4P/c1-3-4(5)9(6,7)8-2/h3H2,1-2H3,(H,6,7)
InChIKeyIZPDTRWIAGOLEW-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.75
Rot. Bonds3

About methoxy(propanoyl)phosphinic acid

methoxy(propanoyl)phosphinic acid (PubChem CID 10154259) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is methoxy(propanoyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy(propanoyl)phosphinic acid
PubChem CID10154259
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Namemethoxy(propanoyl)phosphinic acid
SMILESCCC(=O)P(=O)(O)OC
InChIInChI=1S/C4H9O4P/c1-3-4(5)9(6,7)8-2/h3H2,1-2H3,(H,6,7)
InChIKeyIZPDTRWIAGOLEW-UHFFFAOYSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy(propanoyl)phosphinic acid?
The IUPAC name of methoxy(propanoyl)phosphinic acid (CID 10154259) is methoxy(propanoyl)phosphinic acid.
What is the SMILES notation for methoxy(propanoyl)phosphinic acid?
The canonical SMILES for methoxy(propanoyl)phosphinic acid is CCC(=O)P(=O)(O)OC.
What is the InChIKey of methoxy(propanoyl)phosphinic acid?
The InChIKey is IZPDTRWIAGOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-3-4(5)9(6,7)8-2/h3H2,1-2H3,(H,6,7).
What are the key properties of methoxy(propanoyl)phosphinic acid?
methoxy(propanoyl)phosphinic acid has a molecular weight of 152.09 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(propanoyl)phosphinic acid is sourced from PubChem (CID 10154259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).