(2-dichlorooxyphosphorylphenyl)phosphonic acid

C6H6Cl2O6P2 — CID 88776757

IUPAC(2-dichlorooxyphosphorylphenyl)phosphonic acid
SMILESO=P(O)(O)c1ccccc1P(=O)(OCl)OCl
InChIInChI=1S/C6H6Cl2O6P2/c7-13-16(12,14-8)6-4-2-1-3-5(6)15(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyICOOBEAUWULGSY-UHFFFAOYSA-N
MW306.96 g/mol
LogP1.65
Rot. Bonds4

About (2-dichlorooxyphosphorylphenyl)phosphonic acid

(2-dichlorooxyphosphorylphenyl)phosphonic acid (PubChem CID 88776757) has the molecular formula C6H6Cl2O6P2 and a molecular weight of 306.96 g/mol. Its IUPAC name is (2-dichlorooxyphosphorylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2-dichlorooxyphosphorylphenyl)phosphonic acid
PubChem CID88776757
Molecular FormulaC6H6Cl2O6P2
Molecular Weight306.96 g/mol
Exact Mass305.90
IUPAC Name(2-dichlorooxyphosphorylphenyl)phosphonic acid
SMILESO=P(O)(O)c1ccccc1P(=O)(OCl)OCl
InChIInChI=1S/C6H6Cl2O6P2/c7-13-16(12,14-8)6-4-2-1-3-5(6)15(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyICOOBEAUWULGSY-UHFFFAOYSA-N
XLogP1.65
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.96
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-dichlorooxyphosphorylphenyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-dichlorooxyphosphorylphenyl)phosphonic acid?
The IUPAC name of (2-dichlorooxyphosphorylphenyl)phosphonic acid (CID 88776757) is (2-dichlorooxyphosphorylphenyl)phosphonic acid.
What is the SMILES notation for (2-dichlorooxyphosphorylphenyl)phosphonic acid?
The canonical SMILES for (2-dichlorooxyphosphorylphenyl)phosphonic acid is O=P(O)(O)c1ccccc1P(=O)(OCl)OCl.
What is the InChIKey of (2-dichlorooxyphosphorylphenyl)phosphonic acid?
The InChIKey is ICOOBEAUWULGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O6P2/c7-13-16(12,14-8)6-4-2-1-3-5(6)15(9,10)11/h1-4H,(H2,9,10,11).
What are the key properties of (2-dichlorooxyphosphorylphenyl)phosphonic acid?
(2-dichlorooxyphosphorylphenyl)phosphonic acid has a molecular weight of 306.96 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dichlorooxyphosphorylphenyl)phosphonic acid is sourced from PubChem (CID 88776757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).