5-chloro-2-(ethoxymethyl)-1H-indole

C11H12ClNO — CID 117176866

IUPAC5-chloro-2-(ethoxymethyl)-1H-indole
SMILESCCOCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H12ClNO/c1-2-14-7-10-6-8-5-9(12)3-4-11(8)13-10/h3-6,13H,2,7H2,1H3
InChIKeyTVJFMVTVTYJFCN-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-2-(ethoxymethyl)-1H-indole

5-chloro-2-(ethoxymethyl)-1H-indole (PubChem CID 117176866) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-2-(ethoxymethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(ethoxymethyl)-1H-indole
PubChem CID117176866
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name5-chloro-2-(ethoxymethyl)-1H-indole
SMILESCCOCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H12ClNO/c1-2-14-7-10-6-8-5-9(12)3-4-11(8)13-10/h3-6,13H,2,7H2,1H3
InChIKeyTVJFMVTVTYJFCN-UHFFFAOYSA-N
XLogP3.36
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448
5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
CID 117176713
N-[(5-chloro-1H-indol-2-yl)methyl]butan-1-amine
CID 134859783
(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(5-chloro-1H-indol-2-yl)methoxymethyl]-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 155370365
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
CID 54196890
2-(butoxymethyl)-5,6-difluoro-1H-indole
CID 126610897

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethoxymethyl)-1H-indole?
The IUPAC name of 5-chloro-2-(ethoxymethyl)-1H-indole (CID 117176866) is 5-chloro-2-(ethoxymethyl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(ethoxymethyl)-1H-indole?
The canonical SMILES for 5-chloro-2-(ethoxymethyl)-1H-indole is CCOCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-(ethoxymethyl)-1H-indole?
The InChIKey is TVJFMVTVTYJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-14-7-10-6-8-5-9(12)3-4-11(8)13-10/h3-6,13H,2,7H2,1H3.
What are the key properties of 5-chloro-2-(ethoxymethyl)-1H-indole?
5-chloro-2-(ethoxymethyl)-1H-indole has a molecular weight of 209.68 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethoxymethyl)-1H-indole is sourced from PubChem (CID 117176866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).