3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one

C23H20ClNO2 — CID 118601659

IUPAC3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
SMILESCc1ccc(CN2C(=O)c3cc(C)ccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO2/c1-15-3-6-17(7-4-15)14-25-22(26)20-13-16(2)5-12-21(20)23(25,27)18-8-10-19(24)11-9-18/h3-13,27H,14H2,1-2H3
InChIKeyQVJKVBLUUXJZKZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.81
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one (PubChem CID 118601659) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
PubChem CID118601659
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
SMILESCc1ccc(CN2C(=O)c3cc(C)ccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO2/c1-15-3-6-17(7-4-15)14-25-22(26)20-13-16(2)5-12-21(20)23(25,27)18-8-10-19(24)11-9-18/h3-13,27H,14H2,1-2H3
InChIKeyQVJKVBLUUXJZKZ-UHFFFAOYSA-N
XLogP4.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.81
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-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one (CID 118601659) is 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one is Cc1ccc(CN2C(=O)c3cc(C)ccc3C2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one?
The InChIKey is QVJKVBLUUXJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-15-3-6-17(7-4-15)14-25-22(26)20-13-16(2)5-12-21(20)23(25,27)18-8-10-19(24)11-9-18/h3-13,27H,14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one has a molecular weight of 377.87 g/mol, XLogP of 4.81, 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-6-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one is sourced from PubChem (CID 118601659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).