3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one

C20H14INO2 — CID 4247568

IUPAC3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(I)cc1
InChIInChI=1S/C20H14INO2/c21-15-10-12-16(13-11-15)22-19(23)17-8-4-5-9-18(17)20(22,24)14-6-2-1-3-7-14/h1-13,24H
InChIKeyODYLZFNGQUKPJG-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.14
Rot. Bonds2

About 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one

3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one (PubChem CID 4247568) has the molecular formula C20H14INO2 and a molecular weight of 427.24 g/mol. Its IUPAC name is 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
PubChem CID4247568
Molecular FormulaC20H14INO2
Molecular Weight427.24 g/mol
Exact Mass427.01
IUPAC Name3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(I)cc1
InChIInChI=1S/C20H14INO2/c21-15-10-12-16(13-11-15)22-19(23)17-8-4-5-9-18(17)20(22,24)14-6-2-1-3-7-14/h1-13,24H
InChIKeyODYLZFNGQUKPJG-UHFFFAOYSA-N
XLogP4.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one 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 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one?
The IUPAC name of 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one (CID 4247568) is 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one is O=C1c2ccccc2C(O)(c2ccccc2)N1c1ccc(I)cc1.
What is the InChIKey of 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one?
The InChIKey is ODYLZFNGQUKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14INO2/c21-15-10-12-16(13-11-15)22-19(23)17-8-4-5-9-18(17)20(22,24)14-6-2-1-3-7-14/h1-13,24H.
What are the key properties of 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one?
3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one has a molecular weight of 427.24 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one is sourced from PubChem (CID 4247568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).