(2-diphenylphosphorylphenyl) dihydrogen phosphate

C18H16O5P2 — CID 5091579

IUPAC(2-diphenylphosphorylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O5P2/c19-24(15-9-3-1-4-10-15,16-11-5-2-6-12-16)18-14-8-7-13-17(18)23-25(20,21)22/h1-14H,(H2,20,21,22)
InChIKeyKXNJPHBRKGLQEU-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.80
Rot. Bonds5

About (2-diphenylphosphorylphenyl) dihydrogen phosphate

(2-diphenylphosphorylphenyl) dihydrogen phosphate (PubChem CID 5091579) has the molecular formula C18H16O5P2 and a molecular weight of 374.27 g/mol. Its IUPAC name is (2-diphenylphosphorylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-diphenylphosphorylphenyl) dihydrogen phosphate
PubChem CID5091579
Molecular FormulaC18H16O5P2
Molecular Weight374.27 g/mol
Exact Mass374.05
IUPAC Name(2-diphenylphosphorylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O5P2/c19-24(15-9-3-1-4-10-15,16-11-5-2-6-12-16)18-14-8-7-13-17(18)23-25(20,21)22/h1-14H,(H2,20,21,22)
InChIKeyKXNJPHBRKGLQEU-UHFFFAOYSA-N
XLogP2.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.80
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-diphenylphosphorylphenyl) dihydrogen phosphate?
The IUPAC name of (2-diphenylphosphorylphenyl) dihydrogen phosphate (CID 5091579) is (2-diphenylphosphorylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-diphenylphosphorylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-diphenylphosphorylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphorylphenyl) dihydrogen phosphate?
The InChIKey is KXNJPHBRKGLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5P2/c19-24(15-9-3-1-4-10-15,16-11-5-2-6-12-16)18-14-8-7-13-17(18)23-25(20,21)22/h1-14H,(H2,20,21,22).
What are the key properties of (2-diphenylphosphorylphenyl) dihydrogen phosphate?
(2-diphenylphosphorylphenyl) dihydrogen phosphate has a molecular weight of 374.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphorylphenyl) dihydrogen phosphate is sourced from PubChem (CID 5091579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).