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

C22H18ClNO2 — CID 51349700

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one
SMILESCc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-15-6-8-16(9-7-15)14-24-21(25)19-4-2-3-5-20(19)22(24,26)17-10-12-18(23)13-11-17/h2-13,26H,14H2,1H3
InChIKeySBGUDSXIHMTBNZ-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.50
Rot. Bonds3

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

3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one (PubChem CID 51349700) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one
PubChem CID51349700
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one
SMILESCc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-15-6-8-16(9-7-15)14-24-21(25)19-4-2-3-5-20(19)22(24,26)17-10-12-18(23)13-11-17/h2-13,26H,14H2,1H3
InChIKeySBGUDSXIHMTBNZ-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.50
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-[(4-methylphenyl)methyl]isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one (CID 51349700) is 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one is Cc1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one?
The InChIKey is SBGUDSXIHMTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-15-6-8-16(9-7-15)14-24-21(25)19-4-2-3-5-20(19)22(24,26)17-10-12-18(23)13-11-17/h2-13,26H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-[(4-methylphenyl)methyl]isoindol-1-one has a molecular weight of 363.84 g/mol, XLogP of 4.50, 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-methylphenyl)methyl]isoindol-1-one is sourced from PubChem (CID 51349700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).