1-(2-chloro-6-methylphenyl)-3H-indol-2-one

C15H12ClNO — CID 70610561

IUPAC1-(2-chloro-6-methylphenyl)-3H-indol-2-one
SMILESCc1cccc(Cl)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C15H12ClNO/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(17)18/h2-8H,9H2,1H3
InChIKeyDKLZKNYZBBQHTG-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.87
Rot. Bonds1

About 1-(2-chloro-6-methylphenyl)-3H-indol-2-one

1-(2-chloro-6-methylphenyl)-3H-indol-2-one (PubChem CID 70610561) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3H-indol-2-one
PubChem CID70610561
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name1-(2-chloro-6-methylphenyl)-3H-indol-2-one
SMILESCc1cccc(Cl)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C15H12ClNO/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(17)18/h2-8H,9H2,1H3
InChIKeyDKLZKNYZBBQHTG-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3H-indol-2-one?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3H-indol-2-one (CID 70610561) is 1-(2-chloro-6-methylphenyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3H-indol-2-one?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3H-indol-2-one is Cc1cccc(Cl)c1N1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3H-indol-2-one?
The InChIKey is DKLZKNYZBBQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(17)18/h2-8H,9H2,1H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)-3H-indol-2-one?
1-(2-chloro-6-methylphenyl)-3H-indol-2-one has a molecular weight of 257.72 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3H-indol-2-one is sourced from PubChem (CID 70610561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).