6-(3-chlorophenyl)-1H-indole

C14H10ClN — CID 22049229

IUPAC6-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C14H10ClN/c15-13-3-1-2-11(8-13)12-5-4-10-6-7-16-14(10)9-12/h1-9,16H
InChIKeyRIWQQYWEFCYVSE-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.49
Rot. Bonds1

About 6-(3-chlorophenyl)-1H-indole

6-(3-chlorophenyl)-1H-indole (PubChem CID 22049229) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1H-indole.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1H-indole
PubChem CID22049229
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name6-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C14H10ClN/c15-13-3-1-2-11(8-13)12-5-4-10-6-7-16-14(10)9-12/h1-9,16H
InChIKeyRIWQQYWEFCYVSE-UHFFFAOYSA-N
XLogP4.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 6-(3-chlorophenyl)-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1H-indole?
The IUPAC name of 6-(3-chlorophenyl)-1H-indole (CID 22049229) is 6-(3-chlorophenyl)-1H-indole.
What is the SMILES notation for 6-(3-chlorophenyl)-1H-indole?
The canonical SMILES for 6-(3-chlorophenyl)-1H-indole is Clc1cccc(-c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1H-indole?
The InChIKey is RIWQQYWEFCYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-13-3-1-2-11(8-13)12-5-4-10-6-7-16-14(10)9-12/h1-9,16H.
What are the key properties of 6-(3-chlorophenyl)-1H-indole?
6-(3-chlorophenyl)-1H-indole has a molecular weight of 227.69 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1H-indole is sourced from PubChem (CID 22049229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).