3-(3-chlorophenyl)-2,3-dihydro-1H-indole

C14H12ClN — CID 18675457

IUPAC3-(3-chlorophenyl)-2,3-dihydro-1H-indole
SMILESClc1cccc(C2CNc3ccccc32)c1
InChIInChI=1S/C14H12ClN/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-8,13,16H,9H2
InChIKeyUTFSCMCPVQHOJE-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.90
Rot. Bonds1

About 3-(3-chlorophenyl)-2,3-dihydro-1H-indole

3-(3-chlorophenyl)-2,3-dihydro-1H-indole (PubChem CID 18675457) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,3-dihydro-1H-indole
PubChem CID18675457
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name3-(3-chlorophenyl)-2,3-dihydro-1H-indole
SMILESClc1cccc(C2CNc3ccccc32)c1
InChIInChI=1S/C14H12ClN/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-8,13,16H,9H2
InChIKeyUTFSCMCPVQHOJE-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(3-chlorophenyl)-2,3-dihydro-1H-indole (CID 18675457) is 3-(3-chlorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(3-chlorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(3-chlorophenyl)-2,3-dihydro-1H-indole is Clc1cccc(C2CNc3ccccc32)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is UTFSCMCPVQHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-8,13,16H,9H2.
What are the key properties of 3-(3-chlorophenyl)-2,3-dihydro-1H-indole?
3-(3-chlorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 229.71 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 18675457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).