Bis(p-phosphophenyl) methane

C13H10O4P2 — CID 87980447

IUPAC—
SMILESO=P(=O)c1ccc(Cc2ccc(P(=O)=O)cc2)cc1
InChIInChI=1S/C13H10O4P2/c14-18(15)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19(16)17/h1-8H,9H2
InChIKeyAIEXAQHKZDXQRG-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.87
Rot. Bonds4

About Bis(p-phosphophenyl) methane

Bis(p-phosphophenyl) methane (PubChem CID 87980447) has the molecular formula C13H10O4P2 and a molecular weight of 292.17 g/mol.

Molecular Properties

Compound NameBis(p-phosphophenyl) methane
PubChem CID87980447
Molecular FormulaC13H10O4P2
Molecular Weight292.17 g/mol
Exact Mass292.01
IUPAC Name—
SMILESO=P(=O)c1ccc(Cc2ccc(P(=O)=O)cc2)cc1
InChIInChI=1S/C13H10O4P2/c14-18(15)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19(16)17/h1-8H,9H2
InChIKeyAIEXAQHKZDXQRG-UHFFFAOYSA-N
XLogP2.87
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bis(p-phosphophenyl) methane?
The IUPAC name of Bis(p-phosphophenyl) methane (CID 87980447) is not available.
What is the SMILES notation for Bis(p-phosphophenyl) methane?
The canonical SMILES for Bis(p-phosphophenyl) methane is O=P(=O)c1ccc(Cc2ccc(P(=O)=O)cc2)cc1.
What is the InChIKey of Bis(p-phosphophenyl) methane?
The InChIKey is AIEXAQHKZDXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4P2/c14-18(15)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19(16)17/h1-8H,9H2.
What are the key properties of Bis(p-phosphophenyl) methane?
Bis(p-phosphophenyl) methane has a molecular weight of 292.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(p-phosphophenyl) methane is sourced from PubChem (CID 87980447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).