7-(3-chlorophenyl)-1H-indole

C14H10ClN — CID 22049184

IUPAC7-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2cccc3cc[nH]c23)c1
InChIInChI=1S/C14H10ClN/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h1-9,16H
InChIKeyBSQRRYFLXHDVFZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.49
Rot. Bonds1

About 7-(3-chlorophenyl)-1H-indole

7-(3-chlorophenyl)-1H-indole (PubChem CID 22049184) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-1H-indole.

Molecular Properties

Compound Name7-(3-chlorophenyl)-1H-indole
PubChem CID22049184
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name7-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2cccc3cc[nH]c23)c1
InChIInChI=1S/C14H10ClN/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h1-9,16H
InChIKeyBSQRRYFLXHDVFZ-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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-1H-indole?
The IUPAC name of 7-(3-chlorophenyl)-1H-indole (CID 22049184) is 7-(3-chlorophenyl)-1H-indole.
What is the SMILES notation for 7-(3-chlorophenyl)-1H-indole?
The canonical SMILES for 7-(3-chlorophenyl)-1H-indole is Clc1cccc(-c2cccc3cc[nH]c23)c1.
What is the InChIKey of 7-(3-chlorophenyl)-1H-indole?
The InChIKey is BSQRRYFLXHDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h1-9,16H.
What are the key properties of 7-(3-chlorophenyl)-1H-indole?
7-(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 7-(3-chlorophenyl)-1H-indole is sourced from PubChem (CID 22049184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).