2-ethoxy-3,3-dimethylindole

C12H15NO — CID 12653350

IUPAC2-ethoxy-3,3-dimethylindole
SMILESCCOC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H15NO/c1-4-14-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3
InChIKeyHPGXVAPPQUODJE-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.04
Rot. Bonds1

About 2-ethoxy-3,3-dimethylindole

2-ethoxy-3,3-dimethylindole (PubChem CID 12653350) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethylindole.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethylindole
PubChem CID12653350
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-ethoxy-3,3-dimethylindole
SMILESCCOC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H15NO/c1-4-14-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3
InChIKeyHPGXVAPPQUODJE-UHFFFAOYSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethylindole?
The IUPAC name of 2-ethoxy-3,3-dimethylindole (CID 12653350) is 2-ethoxy-3,3-dimethylindole.
What is the SMILES notation for 2-ethoxy-3,3-dimethylindole?
The canonical SMILES for 2-ethoxy-3,3-dimethylindole is CCOC1=Nc2ccccc2C1(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethylindole?
The InChIKey is HPGXVAPPQUODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-14-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethoxy-3,3-dimethylindole?
2-ethoxy-3,3-dimethylindole has a molecular weight of 189.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethylindole is sourced from PubChem (CID 12653350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).