4-chloro-2-(ethoxymethyl)-1-methylindole

C12H14ClNO — CID 117173476

IUPAC4-chloro-2-(ethoxymethyl)-1-methylindole
SMILESCCOCc1cc2c(Cl)cccc2n1C
InChIInChI=1S/C12H14ClNO/c1-3-15-8-9-7-10-11(13)5-4-6-12(10)14(9)2/h4-7H,3,8H2,1-2H3
InChIKeyXNNKQBIXBLZRLJ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.37
Rot. Bonds3

About 4-chloro-2-(ethoxymethyl)-1-methylindole

4-chloro-2-(ethoxymethyl)-1-methylindole (PubChem CID 117173476) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 4-chloro-2-(ethoxymethyl)-1-methylindole.

Molecular Properties

Compound Name4-chloro-2-(ethoxymethyl)-1-methylindole
PubChem CID117173476
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name4-chloro-2-(ethoxymethyl)-1-methylindole
SMILESCCOCc1cc2c(Cl)cccc2n1C
InChIInChI=1S/C12H14ClNO/c1-3-15-8-9-7-10-11(13)5-4-6-12(10)14(9)2/h4-7H,3,8H2,1-2H3
InChIKeyXNNKQBIXBLZRLJ-UHFFFAOYSA-N
XLogP3.37
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethoxymethyl)-1-methylindole?
The IUPAC name of 4-chloro-2-(ethoxymethyl)-1-methylindole (CID 117173476) is 4-chloro-2-(ethoxymethyl)-1-methylindole.
What is the SMILES notation for 4-chloro-2-(ethoxymethyl)-1-methylindole?
The canonical SMILES for 4-chloro-2-(ethoxymethyl)-1-methylindole is CCOCc1cc2c(Cl)cccc2n1C.
What is the InChIKey of 4-chloro-2-(ethoxymethyl)-1-methylindole?
The InChIKey is XNNKQBIXBLZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-15-8-9-7-10-11(13)5-4-6-12(10)14(9)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-2-(ethoxymethyl)-1-methylindole?
4-chloro-2-(ethoxymethyl)-1-methylindole has a molecular weight of 223.70 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethoxymethyl)-1-methylindole is sourced from PubChem (CID 117173476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).