formyl(phenoxy)phosphinous acid

C7H7O3P — CID 19387428

IUPACformyl(phenoxy)phosphinous acid
SMILESO=CP(O)Oc1ccccc1
InChIInChI=1S/C7H7O3P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-6,9H
InChIKeyKNDVIRKBESIVHB-UHFFFAOYSA-N
MW170.10 g/mol
LogP1.56
Rot. Bonds3

About formyl(phenoxy)phosphinous acid

formyl(phenoxy)phosphinous acid (PubChem CID 19387428) has the molecular formula C7H7O3P and a molecular weight of 170.10 g/mol. Its IUPAC name is formyl(phenoxy)phosphinous acid.

Molecular Properties

Compound Nameformyl(phenoxy)phosphinous acid
PubChem CID19387428
Molecular FormulaC7H7O3P
Molecular Weight170.10 g/mol
Exact Mass170.01
IUPAC Nameformyl(phenoxy)phosphinous acid
SMILESO=CP(O)Oc1ccccc1
InChIInChI=1S/C7H7O3P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-6,9H
InChIKeyKNDVIRKBESIVHB-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 51.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of formyl(phenoxy)phosphinous acid?
The IUPAC name of formyl(phenoxy)phosphinous acid (CID 19387428) is formyl(phenoxy)phosphinous acid.
What is the SMILES notation for formyl(phenoxy)phosphinous acid?
The canonical SMILES for formyl(phenoxy)phosphinous acid is O=CP(O)Oc1ccccc1.
What is the InChIKey of formyl(phenoxy)phosphinous acid?
The InChIKey is KNDVIRKBESIVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-6,9H.
What are the key properties of formyl(phenoxy)phosphinous acid?
formyl(phenoxy)phosphinous acid has a molecular weight of 170.10 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl(phenoxy)phosphinous acid is sourced from PubChem (CID 19387428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).