[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid

C23H20NO4P — CID 134087622

IUPAC[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid
SMILESCCP(=O)(O)C(c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H20NO4P/c1-2-29(27,28)23(24-21(25)19-10-6-7-11-20(19)22(24)26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,23H,2H2,1H3,(H,27,28)
InChIKeyOKONFAZBZFRYJV-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.94
Rot. Bonds5

About [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid

[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid (PubChem CID 134087622) has the molecular formula C23H20NO4P and a molecular weight of 405.39 g/mol. Its IUPAC name is [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid.

Molecular Properties

Compound Name[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid
PubChem CID134087622
Molecular FormulaC23H20NO4P
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC Name[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid
SMILESCCP(=O)(O)C(c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H20NO4P/c1-2-29(27,28)23(24-21(25)19-10-6-7-11-20(19)22(24)26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,23H,2H2,1H3,(H,27,28)
InChIKeyOKONFAZBZFRYJV-UHFFFAOYSA-N
XLogP4.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic 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 [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid?
The IUPAC name of [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid (CID 134087622) is [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid.
What is the SMILES notation for [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid?
The canonical SMILES for [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid is CCP(=O)(O)C(c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid?
The InChIKey is OKONFAZBZFRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO4P/c1-2-29(27,28)23(24-21(25)19-10-6-7-11-20(19)22(24)26)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,23H,2H2,1H3,(H,27,28).
What are the key properties of [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid?
[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid has a molecular weight of 405.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid is sourced from PubChem (CID 134087622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).