1-(4-chlorophenyl)-6-methyl-2H-isoindole

C15H12ClN — CID 150438027

IUPAC1-(4-chlorophenyl)-6-methyl-2H-isoindole
SMILESCc1ccc2c[nH]c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H12ClN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-9,17H,1H3
InChIKeyHLEFYGBAAZALKV-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.80
Rot. Bonds1

About 1-(4-chlorophenyl)-6-methyl-2H-isoindole

1-(4-chlorophenyl)-6-methyl-2H-isoindole (PubChem CID 150438027) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-2H-isoindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-2H-isoindole
PubChem CID150438027
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name1-(4-chlorophenyl)-6-methyl-2H-isoindole
SMILESCc1ccc2c[nH]c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H12ClN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-9,17H,1H3
InChIKeyHLEFYGBAAZALKV-UHFFFAOYSA-N
XLogP4.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-chlorophenyl)-5-methyl-2H-isoindole-1-carboxylic acid
CID 22755951
1-chloro-4-methylbenzene;zinc
CID 174694335
4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
CID 143290184
5-(4-chlorophenyl)-2-(4-methylphenyl)-1H-pyrrole-3-carbonitrile
CID 154709544
1-[5-(4-chlorophenyl)-4-methyl-1H-pyrrol-3-yl]ethanone
CID 118582078
2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole
CID 73351958
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
CID 64981585
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
1,3,7-trimethyl-2-(4-methylphenyl)naphthalene
CID 15440757
2-(4-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3830645

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-2H-isoindole?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-2H-isoindole (CID 150438027) is 1-(4-chlorophenyl)-6-methyl-2H-isoindole.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-2H-isoindole?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-2H-isoindole is Cc1ccc2c[nH]c(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-2H-isoindole?
The InChIKey is HLEFYGBAAZALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-9,17H,1H3.
What are the key properties of 1-(4-chlorophenyl)-6-methyl-2H-isoindole?
1-(4-chlorophenyl)-6-methyl-2H-isoindole has a molecular weight of 241.72 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-2H-isoindole is sourced from PubChem (CID 150438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).