7-chloro-1-(2-methoxyethyl)indole

C11H12ClNO — CID 103474736

IUPAC7-chloro-1-(2-methoxyethyl)indole
SMILESCOCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-14-8-7-13-6-5-9-3-2-4-10(12)11(9)13/h2-6H,7-8H2,1H3
InChIKeyVSELBUQAWJTDAG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.94
Rot. Bonds3

About 7-chloro-1-(2-methoxyethyl)indole

7-chloro-1-(2-methoxyethyl)indole (PubChem CID 103474736) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-1-(2-methoxyethyl)indole.

Molecular Properties

Compound Name7-chloro-1-(2-methoxyethyl)indole
PubChem CID103474736
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name7-chloro-1-(2-methoxyethyl)indole
SMILESCOCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-14-8-7-13-6-5-9-3-2-4-10(12)11(9)13/h2-6H,7-8H2,1H3
InChIKeyVSELBUQAWJTDAG-UHFFFAOYSA-N
XLogP2.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methoxyethyl)indole?
The IUPAC name of 7-chloro-1-(2-methoxyethyl)indole (CID 103474736) is 7-chloro-1-(2-methoxyethyl)indole.
What is the SMILES notation for 7-chloro-1-(2-methoxyethyl)indole?
The canonical SMILES for 7-chloro-1-(2-methoxyethyl)indole is COCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-methoxyethyl)indole?
The InChIKey is VSELBUQAWJTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-14-8-7-13-6-5-9-3-2-4-10(12)11(9)13/h2-6H,7-8H2,1H3.
What are the key properties of 7-chloro-1-(2-methoxyethyl)indole?
7-chloro-1-(2-methoxyethyl)indole has a molecular weight of 209.68 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methoxyethyl)indole is sourced from PubChem (CID 103474736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).