5-chloro-2-phenyl-3H-indole

C14H10ClN — CID 12835738

IUPAC5-chloro-2-phenyl-3H-indole
SMILESClc1ccc2c(c1)CC(c1ccccc1)=N2
InChIInChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPORBYHSOVDNQLU-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-2-phenyl-3H-indole

5-chloro-2-phenyl-3H-indole (PubChem CID 12835738) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-2-phenyl-3H-indole.

Molecular Properties

Compound Name5-chloro-2-phenyl-3H-indole
PubChem CID12835738
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name5-chloro-2-phenyl-3H-indole
SMILESClc1ccc2c(c1)CC(c1ccccc1)=N2
InChIInChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPORBYHSOVDNQLU-UHFFFAOYSA-N
XLogP4.02
TPSA12.36 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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-3H-indole?
The IUPAC name of 5-chloro-2-phenyl-3H-indole (CID 12835738) is 5-chloro-2-phenyl-3H-indole.
What is the SMILES notation for 5-chloro-2-phenyl-3H-indole?
The canonical SMILES for 5-chloro-2-phenyl-3H-indole is Clc1ccc2c(c1)CC(c1ccccc1)=N2.
What is the InChIKey of 5-chloro-2-phenyl-3H-indole?
The InChIKey is PORBYHSOVDNQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 5-chloro-2-phenyl-3H-indole?
5-chloro-2-phenyl-3H-indole has a molecular weight of 227.69 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-3H-indole is sourced from PubChem (CID 12835738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).