6,7-dichloro-4-ethoxy-1H-indole

C10H9Cl2NO — CID 170426700

IUPAC6,7-dichloro-4-ethoxy-1H-indole
SMILESCCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H9Cl2NO/c1-2-14-8-5-7(11)9(12)10-6(8)3-4-13-10/h3-5,13H,2H2,1H3
InChIKeyOHVSUEDRFLWQOD-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.87
Rot. Bonds2

About 6,7-dichloro-4-ethoxy-1H-indole

6,7-dichloro-4-ethoxy-1H-indole (PubChem CID 170426700) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 6,7-dichloro-4-ethoxy-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-ethoxy-1H-indole
PubChem CID170426700
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name6,7-dichloro-4-ethoxy-1H-indole
SMILESCCOc1cc(Cl)c(Cl)c2[nH]ccc12
InChIInChI=1S/C10H9Cl2NO/c1-2-14-8-5-7(11)9(12)10-6(8)3-4-13-10/h3-5,13H,2H2,1H3
InChIKeyOHVSUEDRFLWQOD-UHFFFAOYSA-N
XLogP3.87
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-ethoxy-1H-indole?
The IUPAC name of 6,7-dichloro-4-ethoxy-1H-indole (CID 170426700) is 6,7-dichloro-4-ethoxy-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-ethoxy-1H-indole?
The canonical SMILES for 6,7-dichloro-4-ethoxy-1H-indole is CCOc1cc(Cl)c(Cl)c2[nH]ccc12.
What is the InChIKey of 6,7-dichloro-4-ethoxy-1H-indole?
The InChIKey is OHVSUEDRFLWQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-2-14-8-5-7(11)9(12)10-6(8)3-4-13-10/h3-5,13H,2H2,1H3.
What are the key properties of 6,7-dichloro-4-ethoxy-1H-indole?
6,7-dichloro-4-ethoxy-1H-indole has a molecular weight of 230.09 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-ethoxy-1H-indole is sourced from PubChem (CID 170426700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).