3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one

C23H21NO2 — CID 134845714

IUPAC3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2CC(O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-16-11-13-18(14-12-16)24-21(15-22(25)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24)26/h2-14,21-22,25H,15H2,1H3
InChIKeyBTGGWEWSPYAJSF-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.82
Rot. Bonds4

About 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one

3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one (PubChem CID 134845714) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
PubChem CID134845714
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2CC(O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-16-11-13-18(14-12-16)24-21(15-22(25)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24)26/h2-14,21-22,25H,15H2,1H3
InChIKeyBTGGWEWSPYAJSF-UHFFFAOYSA-N
XLogP4.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-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-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one (CID 134845714) is 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2CC(O)c2ccccc2)cc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The InChIKey is BTGGWEWSPYAJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-16-11-13-18(14-12-16)24-21(15-22(25)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24)26/h2-14,21-22,25H,15H2,1H3.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 134845714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).