3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one

C22H18ClNO2 — CID 51349836

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C22H18ClNO2/c23-18-12-10-17(11-13-18)22(26)20-9-5-4-8-19(20)21(25)24(22)15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2
InChIKeyQHCMEGFPUGYGGL-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.23
Rot. Bonds4

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

3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one (PubChem CID 51349836) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one
PubChem CID51349836
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C22H18ClNO2/c23-18-12-10-17(11-13-18)22(26)20-9-5-4-8-19(20)21(25)24(22)15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2
InChIKeyQHCMEGFPUGYGGL-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one (CID 51349836) is 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1CCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one?
The InChIKey is QHCMEGFPUGYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-18-12-10-17(11-13-18)22(26)20-9-5-4-8-19(20)21(25)24(22)15-14-16-6-2-1-3-7-16/h1-13,26H,14-15H2.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-(2-phenylethyl)isoindol-1-one has a molecular weight of 363.84 g/mol, XLogP of 4.23, 4 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-(2-phenylethyl)isoindol-1-one is sourced from PubChem (CID 51349836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).