7-chloro-1-(oxan-4-yl)indole

C13H14ClNO — CID 103475403

IUPAC7-chloro-1-(oxan-4-yl)indole
SMILESClc1cccc2ccn(C3CCOCC3)c12
InChIInChI=1S/C13H14ClNO/c14-12-3-1-2-10-4-7-15(13(10)12)11-5-8-16-9-6-11/h1-4,7,11H,5-6,8-9H2
InChIKeyONERCPQHZAMLJK-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.65
Rot. Bonds1

About 7-chloro-1-(oxan-4-yl)indole

7-chloro-1-(oxan-4-yl)indole (PubChem CID 103475403) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 7-chloro-1-(oxan-4-yl)indole.

Molecular Properties

Compound Name7-chloro-1-(oxan-4-yl)indole
PubChem CID103475403
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name7-chloro-1-(oxan-4-yl)indole
SMILESClc1cccc2ccn(C3CCOCC3)c12
InChIInChI=1S/C13H14ClNO/c14-12-3-1-2-10-4-7-15(13(10)12)11-5-8-16-9-6-11/h1-4,7,11H,5-6,8-9H2
InChIKeyONERCPQHZAMLJK-UHFFFAOYSA-N
XLogP3.65
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-3-(oxolan-3-yl)-1H-benzimidazole-2-thione
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4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine
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2-(1-cyclobutylindol-7-yl)propan-1-ol
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7-fluoro-1-(1-methylazetidin-3-yl)indole
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(oxan-4-yl)indole?
The IUPAC name of 7-chloro-1-(oxan-4-yl)indole (CID 103475403) is 7-chloro-1-(oxan-4-yl)indole.
What is the SMILES notation for 7-chloro-1-(oxan-4-yl)indole?
The canonical SMILES for 7-chloro-1-(oxan-4-yl)indole is Clc1cccc2ccn(C3CCOCC3)c12.
What is the InChIKey of 7-chloro-1-(oxan-4-yl)indole?
The InChIKey is ONERCPQHZAMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-12-3-1-2-10-4-7-15(13(10)12)11-5-8-16-9-6-11/h1-4,7,11H,5-6,8-9H2.
What are the key properties of 7-chloro-1-(oxan-4-yl)indole?
7-chloro-1-(oxan-4-yl)indole has a molecular weight of 235.71 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(oxan-4-yl)indole is sourced from PubChem (CID 103475403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).