3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid

C16H12ClNO2 — CID 22755951

IUPAC3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)[nH]c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H12ClNO2/c1-9-2-7-12-13(8-9)14(18-15(12)16(19)20)10-3-5-11(17)6-4-10/h2-8,18H,1H3,(H,19,20)
InChIKeyKUQLFPRULFGTTJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.49
Rot. Bonds2

About 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid

3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid (PubChem CID 22755951) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid
PubChem CID22755951
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid
SMILESCc1ccc2c(C(=O)O)[nH]c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H12ClNO2/c1-9-2-7-12-13(8-9)14(18-15(12)16(19)20)10-3-5-11(17)6-4-10/h2-8,18H,1H3,(H,19,20)
InChIKeyKUQLFPRULFGTTJ-UHFFFAOYSA-N
XLogP4.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-(4-methoxyphenyl)-2H-isoindole-1-carboxylic acid
CID 22764370
1-(4-chlorophenyl)-6-methyl-2H-isoindole
CID 150438027
5-chloro-3-(4-methylphenyl)-2-benzofuran-1-carboxylic acid
CID 67797689
6-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94288954
4-hydroxy-7-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 54703481
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
3-(4-chlorophenyl)-5,7-dimethyl-2-benzofuran-1-carboxylic acid
CID 67797500
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid (CID 22755951) is 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid is Cc1ccc2c(C(=O)O)[nH]c(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid?
The InChIKey is KUQLFPRULFGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-9-2-7-12-13(8-9)14(18-15(12)16(19)20)10-3-5-11(17)6-4-10/h2-8,18H,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid?
3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid is sourced from PubChem (CID 22755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).