1-(4-chlorophenyl)indole

C14H10ClN — CID 775716

IUPAC1-(4-chlorophenyl)indole
SMILESClc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H10ClN/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-10H
InChIKeyKHYIDGIPLSNPHO-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.28
Rot. Bonds1

About 1-(4-chlorophenyl)indole

1-(4-chlorophenyl)indole (PubChem CID 775716) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)indole.

Molecular Properties

Compound Name1-(4-chlorophenyl)indole
PubChem CID775716
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name1-(4-chlorophenyl)indole
SMILESClc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H10ClN/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-10H
InChIKeyKHYIDGIPLSNPHO-UHFFFAOYSA-N
XLogP4.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)indole?
The IUPAC name of 1-(4-chlorophenyl)indole (CID 775716) is 1-(4-chlorophenyl)indole.
What is the SMILES notation for 1-(4-chlorophenyl)indole?
The canonical SMILES for 1-(4-chlorophenyl)indole is Clc1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)indole?
The InChIKey is KHYIDGIPLSNPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-10H.
What are the key properties of 1-(4-chlorophenyl)indole?
1-(4-chlorophenyl)indole has a molecular weight of 227.69 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)indole is sourced from PubChem (CID 775716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).