2-(4-chlorophenyl)-1-methylindole

C15H12ClN — CID 1103406

IUPAC2-(4-chlorophenyl)-1-methylindole
SMILESCn1c(-c2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C15H12ClN/c1-17-14-5-3-2-4-12(14)10-15(17)11-6-8-13(16)9-7-11/h2-10H,1H3
InChIKeyOWGLBEXZKLNFQK-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.50
Rot. Bonds1

About 2-(4-chlorophenyl)-1-methylindole

2-(4-chlorophenyl)-1-methylindole (PubChem CID 1103406) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methylindole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methylindole
PubChem CID1103406
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name2-(4-chlorophenyl)-1-methylindole
SMILESCn1c(-c2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C15H12ClN/c1-17-14-5-3-2-4-12(14)10-15(17)11-6-8-13(16)9-7-11/h2-10H,1H3
InChIKeyOWGLBEXZKLNFQK-UHFFFAOYSA-N
XLogP4.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methylindole?
The IUPAC name of 2-(4-chlorophenyl)-1-methylindole (CID 1103406) is 2-(4-chlorophenyl)-1-methylindole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methylindole?
The canonical SMILES for 2-(4-chlorophenyl)-1-methylindole is Cn1c(-c2ccc(Cl)cc2)cc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-methylindole?
The InChIKey is OWGLBEXZKLNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c1-17-14-5-3-2-4-12(14)10-15(17)11-6-8-13(16)9-7-11/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-methylindole?
2-(4-chlorophenyl)-1-methylindole has a molecular weight of 241.72 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methylindole is sourced from PubChem (CID 1103406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).