2-diphenylphosphorylbenzoic acid

C19H15O3P — CID 5070268

IUPAC2-diphenylphosphorylbenzoic acid
SMILESO=C(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15O3P/c20-19(21)17-13-7-8-14-18(17)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKeyPOFCPWOXEUXHBM-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.02
Rot. Bonds4

About 2-diphenylphosphorylbenzoic acid

2-diphenylphosphorylbenzoic acid (PubChem CID 5070268) has the molecular formula C19H15O3P and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-diphenylphosphorylbenzoic acid.

Molecular Properties

Compound Name2-diphenylphosphorylbenzoic acid
PubChem CID5070268
Molecular FormulaC19H15O3P
Molecular Weight322.30 g/mol
Exact Mass322.08
IUPAC Name2-diphenylphosphorylbenzoic acid
SMILESO=C(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15O3P/c20-19(21)17-13-7-8-14-18(17)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKeyPOFCPWOXEUXHBM-UHFFFAOYSA-N
XLogP3.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphorylbenzoic acid 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 2-diphenylphosphorylbenzoic acid?
The IUPAC name of 2-diphenylphosphorylbenzoic acid (CID 5070268) is 2-diphenylphosphorylbenzoic acid.
What is the SMILES notation for 2-diphenylphosphorylbenzoic acid?
The canonical SMILES for 2-diphenylphosphorylbenzoic acid is O=C(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylbenzoic acid?
The InChIKey is POFCPWOXEUXHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O3P/c20-19(21)17-13-7-8-14-18(17)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21).
What are the key properties of 2-diphenylphosphorylbenzoic acid?
2-diphenylphosphorylbenzoic acid has a molecular weight of 322.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylbenzoic acid is sourced from PubChem (CID 5070268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).