(2-diphenylphosphoryloxyphenyl)methylphosphonic acid

C19H18O5P2 — CID 3241949

IUPAC(2-diphenylphosphoryloxyphenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O5P2/c20-25(21,22)15-16-9-7-8-14-19(16)24-26(23,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,20,21,22)
InChIKeyPIOMGFJWXBVGSG-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.67
Rot. Bonds6

About (2-diphenylphosphoryloxyphenyl)methylphosphonic acid

(2-diphenylphosphoryloxyphenyl)methylphosphonic acid (PubChem CID 3241949) has the molecular formula C19H18O5P2 and a molecular weight of 388.30 g/mol. Its IUPAC name is (2-diphenylphosphoryloxyphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(2-diphenylphosphoryloxyphenyl)methylphosphonic acid
PubChem CID3241949
Molecular FormulaC19H18O5P2
Molecular Weight388.30 g/mol
Exact Mass388.06
IUPAC Name(2-diphenylphosphoryloxyphenyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O5P2/c20-25(21,22)15-16-9-7-8-14-19(16)24-26(23,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,20,21,22)
InChIKeyPIOMGFJWXBVGSG-UHFFFAOYSA-N
XLogP3.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-diphenylphosphoryloxyphenyl)methylphosphonic acid?
The IUPAC name of (2-diphenylphosphoryloxyphenyl)methylphosphonic acid (CID 3241949) is (2-diphenylphosphoryloxyphenyl)methylphosphonic acid.
What is the SMILES notation for (2-diphenylphosphoryloxyphenyl)methylphosphonic acid?
The canonical SMILES for (2-diphenylphosphoryloxyphenyl)methylphosphonic acid is O=P(O)(O)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphoryloxyphenyl)methylphosphonic acid?
The InChIKey is PIOMGFJWXBVGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5P2/c20-25(21,22)15-16-9-7-8-14-19(16)24-26(23,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H2,20,21,22).
What are the key properties of (2-diphenylphosphoryloxyphenyl)methylphosphonic acid?
(2-diphenylphosphoryloxyphenyl)methylphosphonic acid has a molecular weight of 388.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphoryloxyphenyl)methylphosphonic acid is sourced from PubChem (CID 3241949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).