diphenyl hydrogen phosphate

C12H11O4P — CID 13282

IUPACdiphenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyASMQGLCHMVWBQR-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.24
Rot. Bonds4

About diphenyl hydrogen phosphate

diphenyl hydrogen phosphate (PubChem CID 13282) has the molecular formula C12H11O4P and a molecular weight of 250.19 g/mol. Its IUPAC name is diphenyl hydrogen phosphate.

Molecular Properties

Compound Namediphenyl hydrogen phosphate
PubChem CID13282
Molecular FormulaC12H11O4P
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Namediphenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyASMQGLCHMVWBQR-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenyl hydrogen phosphate 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 diphenyl hydrogen phosphate?
The IUPAC name of diphenyl hydrogen phosphate (CID 13282) is diphenyl hydrogen phosphate.
What is the SMILES notation for diphenyl hydrogen phosphate?
The canonical SMILES for diphenyl hydrogen phosphate is O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphate?
The InChIKey is ASMQGLCHMVWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14).
What are the key properties of diphenyl hydrogen phosphate?
diphenyl hydrogen phosphate has a molecular weight of 250.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphate is sourced from PubChem (CID 13282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).