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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Related Compounds

4-[[5-bromo-1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzonitrile
CID 135281608
3-(4-chlorophenyl)-3-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
CID 134463019
3-(4-chlorophenyl)-3,5-dimethyl-2-[(4-nitrophenyl)methyl]isoindol-1-one
CID 134463034
3-hydroxy-3-(4-methylphenyl)-2-prop-2-enylisoindol-1-one
CID 2841309
6-bromo-4-chloro-3-(4-chlorophenyl)-3-hydroxy-2-[(5-methyl-2-pyridinyl)methyl]isoindol-1-one
CID 145283241
2-[(2-benzoylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
CID 118596981
3-hydroxy-2-[(4-nitrophenyl)methyl]-3-phenylisoindol-1-one
CID 51349702
(3R)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-[(1-ethylcyclopropyl)methoxy]-6-prop-1-en-2-ylisoindol-1-one
CID 158631003
6-bromo-3-[2-(bromomethyl)-3-hydroxy-2-methylpropoxy]-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]isoindol-1-one
CID 135281524
3-(4-chlorophenyl)-2-[(4-iodophenyl)methyl]-3-methylisoindol-1-one
CID 134463058
6-acetyl-2-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindol-1-one
CID 135281703
1-[[5-bromo-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 135281517

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).