[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid

C11H13O6P — CID 57190144

IUPAC[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid
SMILESCCOP(=O)(Oc1ccc(C(C)=O)cc1)C(=O)O
InChIInChI=1S/C11H13O6P/c1-3-16-18(15,11(13)14)17-10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyGMWWVENFGZJTBW-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.18
Rot. Bonds6

About [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid

[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid (PubChem CID 57190144) has the molecular formula C11H13O6P and a molecular weight of 272.19 g/mol. Its IUPAC name is [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid.

Molecular Properties

Compound Name[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid
PubChem CID57190144
Molecular FormulaC11H13O6P
Molecular Weight272.19 g/mol
Exact Mass272.04
IUPAC Name[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid
SMILESCCOP(=O)(Oc1ccc(C(C)=O)cc1)C(=O)O
InChIInChI=1S/C11H13O6P/c1-3-16-18(15,11(13)14)17-10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyGMWWVENFGZJTBW-UHFFFAOYSA-N
XLogP3.18
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid?
The IUPAC name of [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid (CID 57190144) is [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid.
What is the SMILES notation for [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid?
The canonical SMILES for [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid is CCOP(=O)(Oc1ccc(C(C)=O)cc1)C(=O)O.
What is the InChIKey of [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid?
The InChIKey is GMWWVENFGZJTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O6P/c1-3-16-18(15,11(13)14)17-10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid?
[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid has a molecular weight of 272.19 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetylphenoxy)-ethoxyphosphoryl]formic acid is sourced from PubChem (CID 57190144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).