(2-phenyl-6-phosphonophenyl)phosphonic acid

C12H12O6P2 — CID 19097199

IUPAC(2-phenyl-6-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccccc2)c1P(=O)(O)O
InChIInChI=1S/C12H12O6P2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9/h1-8H,(H2,13,14,15)(H2,16,17,18)
InChIKeyVRHQZONYEWJVMG-UHFFFAOYSA-N
MW314.17 g/mol
LogP0.96
Rot. Bonds3

About (2-phenyl-6-phosphonophenyl)phosphonic acid

(2-phenyl-6-phosphonophenyl)phosphonic acid (PubChem CID 19097199) has the molecular formula C12H12O6P2 and a molecular weight of 314.17 g/mol. Its IUPAC name is (2-phenyl-6-phosphonophenyl)phosphonic acid.

Molecular Properties

Compound Name(2-phenyl-6-phosphonophenyl)phosphonic acid
PubChem CID19097199
Molecular FormulaC12H12O6P2
Molecular Weight314.17 g/mol
Exact Mass314.01
IUPAC Name(2-phenyl-6-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccccc2)c1P(=O)(O)O
InChIInChI=1S/C12H12O6P2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9/h1-8H,(H2,13,14,15)(H2,16,17,18)
InChIKeyVRHQZONYEWJVMG-UHFFFAOYSA-N
XLogP0.96
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-6-phosphonophenyl)phosphonic acid?
The IUPAC name of (2-phenyl-6-phosphonophenyl)phosphonic acid (CID 19097199) is (2-phenyl-6-phosphonophenyl)phosphonic acid.
What is the SMILES notation for (2-phenyl-6-phosphonophenyl)phosphonic acid?
The canonical SMILES for (2-phenyl-6-phosphonophenyl)phosphonic acid is O=P(O)(O)c1cccc(-c2ccccc2)c1P(=O)(O)O.
What is the InChIKey of (2-phenyl-6-phosphonophenyl)phosphonic acid?
The InChIKey is VRHQZONYEWJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6P2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9/h1-8H,(H2,13,14,15)(H2,16,17,18).
What are the key properties of (2-phenyl-6-phosphonophenyl)phosphonic acid?
(2-phenyl-6-phosphonophenyl)phosphonic acid has a molecular weight of 314.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-6-phosphonophenyl)phosphonic acid is sourced from PubChem (CID 19097199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).