7-chloro-2-ethyl-6-methoxy-1H-indole

C11H12ClNO — CID 130063787

IUPAC7-chloro-2-ethyl-6-methoxy-1H-indole
SMILESCCc1cc2ccc(OC)c(Cl)c2[nH]1
InChIInChI=1S/C11H12ClNO/c1-3-8-6-7-4-5-9(14-2)10(12)11(7)13-8/h4-6,13H,3H2,1-2H3
InChIKeyHLPWIWQSZVCLBD-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.39
Rot. Bonds2

About 7-chloro-2-ethyl-6-methoxy-1H-indole

7-chloro-2-ethyl-6-methoxy-1H-indole (PubChem CID 130063787) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-methoxy-1H-indole.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-methoxy-1H-indole
PubChem CID130063787
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name7-chloro-2-ethyl-6-methoxy-1H-indole
SMILESCCc1cc2ccc(OC)c(Cl)c2[nH]1
InChIInChI=1S/C11H12ClNO/c1-3-8-6-7-4-5-9(14-2)10(12)11(7)13-8/h4-6,13H,3H2,1-2H3
InChIKeyHLPWIWQSZVCLBD-UHFFFAOYSA-N
XLogP3.39
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-methoxy-1H-indole?
The IUPAC name of 7-chloro-2-ethyl-6-methoxy-1H-indole (CID 130063787) is 7-chloro-2-ethyl-6-methoxy-1H-indole.
What is the SMILES notation for 7-chloro-2-ethyl-6-methoxy-1H-indole?
The canonical SMILES for 7-chloro-2-ethyl-6-methoxy-1H-indole is CCc1cc2ccc(OC)c(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-2-ethyl-6-methoxy-1H-indole?
The InChIKey is HLPWIWQSZVCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-3-8-6-7-4-5-9(14-2)10(12)11(7)13-8/h4-6,13H,3H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-6-methoxy-1H-indole?
7-chloro-2-ethyl-6-methoxy-1H-indole has a molecular weight of 209.68 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-methoxy-1H-indole is sourced from PubChem (CID 130063787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).