6-chloro-3-(ethoxymethyl)-1H-indole

C11H12ClNO — CID 117178595

IUPAC6-chloro-3-(ethoxymethyl)-1H-indole
SMILESCCOCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClNO/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyOTWUOKSHQBXTIM-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.36
Rot. Bonds3

About 6-chloro-3-(ethoxymethyl)-1H-indole

6-chloro-3-(ethoxymethyl)-1H-indole (PubChem CID 117178595) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-3-(ethoxymethyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-3-(ethoxymethyl)-1H-indole
PubChem CID117178595
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-chloro-3-(ethoxymethyl)-1H-indole
SMILESCCOCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClNO/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyOTWUOKSHQBXTIM-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

O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(ethoxymethyl)-1H-indole?
The IUPAC name of 6-chloro-3-(ethoxymethyl)-1H-indole (CID 117178595) is 6-chloro-3-(ethoxymethyl)-1H-indole.
What is the SMILES notation for 6-chloro-3-(ethoxymethyl)-1H-indole?
The canonical SMILES for 6-chloro-3-(ethoxymethyl)-1H-indole is CCOCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(ethoxymethyl)-1H-indole?
The InChIKey is OTWUOKSHQBXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3.
What are the key properties of 6-chloro-3-(ethoxymethyl)-1H-indole?
6-chloro-3-(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 6-chloro-3-(ethoxymethyl)-1H-indole is sourced from PubChem (CID 117178595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).