diphenylphosphorylbenzene

C18H15OP — CID 13097

IUPACdiphenylphosphorylbenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyFIQMHBFVRAXMOP-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.33
Rot. Bonds3

About diphenylphosphorylbenzene

diphenylphosphorylbenzene (PubChem CID 13097) has the molecular formula C18H15OP and a molecular weight of 278.29 g/mol. Its IUPAC name is diphenylphosphorylbenzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene
PubChem CID13097
Molecular FormulaC18H15OP
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Namediphenylphosphorylbenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyFIQMHBFVRAXMOP-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diphenylphosphorylbenzene 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 diphenylphosphorylbenzene?
The IUPAC name of diphenylphosphorylbenzene (CID 13097) is diphenylphosphorylbenzene.
What is the SMILES notation for diphenylphosphorylbenzene?
The canonical SMILES for diphenylphosphorylbenzene is O=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphorylbenzene?
The InChIKey is FIQMHBFVRAXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of diphenylphosphorylbenzene?
diphenylphosphorylbenzene has a molecular weight of 278.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene is sourced from PubChem (CID 13097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).