1-formyloxyethylphosphonic acid

C3H7O5P — CID 174693537

IUPAC1-formyloxyethylphosphonic acid
SMILESCC(OC=O)P(=O)(O)O
InChIInChI=1S/C3H7O5P/c1-3(8-2-4)9(5,6)7/h2-3H,1H3,(H2,5,6,7)
InChIKeyIDJDDYXBBNBMTJ-UHFFFAOYSA-N
MW154.06 g/mol
LogP-0.32
Rot. Bonds3

About 1-formyloxyethylphosphonic acid

1-formyloxyethylphosphonic acid (PubChem CID 174693537) has the molecular formula C3H7O5P and a molecular weight of 154.06 g/mol. Its IUPAC name is 1-formyloxyethylphosphonic acid.

Molecular Properties

Compound Name1-formyloxyethylphosphonic acid
PubChem CID174693537
Molecular FormulaC3H7O5P
Molecular Weight154.06 g/mol
Exact Mass154.00
IUPAC Name1-formyloxyethylphosphonic acid
SMILESCC(OC=O)P(=O)(O)O
InChIInChI=1S/C3H7O5P/c1-3(8-2-4)9(5,6)7/h2-3H,1H3,(H2,5,6,7)
InChIKeyIDJDDYXBBNBMTJ-UHFFFAOYSA-N
XLogP-0.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.06
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-1-formyloxypropan-2-yl)phosphonic acid
CID 90859967
1-silyloxyethylphosphonic acid
CID 173192117
propan-2-yl formate;dihydrochloride
CID 141306590
1-[(E)-2-methylbut-2-enoyl]oxyethylphosphonic acid
CID 142670732
2-(1-phosphonoethoxy)propanoic acid
CID 146452583
1-hydroxypropan-2-yl formate
CID 22152793
1-iodoethyl formate
CID 54523341
(1-chloro-1-oxopropan-2-yl) formate
CID 89290637
4-formyloxypentan-2-yl formate
CID 123880614
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
[1-(methylamino)-1-oxopropan-2-yl] formate
CID 89053877

Frequently Asked Questions

What is the IUPAC name of 1-formyloxyethylphosphonic acid?
The IUPAC name of 1-formyloxyethylphosphonic acid (CID 174693537) is 1-formyloxyethylphosphonic acid.
What is the SMILES notation for 1-formyloxyethylphosphonic acid?
The canonical SMILES for 1-formyloxyethylphosphonic acid is CC(OC=O)P(=O)(O)O.
What is the InChIKey of 1-formyloxyethylphosphonic acid?
The InChIKey is IDJDDYXBBNBMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O5P/c1-3(8-2-4)9(5,6)7/h2-3H,1H3,(H2,5,6,7).
What are the key properties of 1-formyloxyethylphosphonic acid?
1-formyloxyethylphosphonic acid has a molecular weight of 154.06 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyloxyethylphosphonic acid is sourced from PubChem (CID 174693537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).