3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one

C21H15ClINO2 — CID 51349699

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(I)cc1
InChIInChI=1S/C21H15ClINO2/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(23)12-6-14/h1-12,26H,13H2
InChIKeyUDZDEVMPNJUMBO-UHFFFAOYSA-N
MW475.71 g/mol
LogP4.79
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one (PubChem CID 51349699) has the molecular formula C21H15ClINO2 and a molecular weight of 475.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one
PubChem CID51349699
Molecular FormulaC21H15ClINO2
Molecular Weight475.71 g/mol
Exact Mass474.98
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(I)cc1
InChIInChI=1S/C21H15ClINO2/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(23)12-6-14/h1-12,26H,13H2
InChIKeyUDZDEVMPNJUMBO-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one (CID 51349699) is 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one is O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(I)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one?
The InChIKey is UDZDEVMPNJUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClINO2/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(23)12-6-14/h1-12,26H,13H2.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one has a molecular weight of 475.71 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-[(4-iodophenyl)methyl]isoindol-1-one is sourced from PubChem (CID 51349699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).