1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde

C13H15NO2 — CID 88940775

IUPAC1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde
SMILESCOCCn1cc(C=O)c2c(C)cccc21
InChIInChI=1S/C13H15NO2/c1-10-4-3-5-12-13(10)11(9-15)8-14(12)6-7-16-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyGDOFCQOEQDNUMR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde

1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde (PubChem CID 88940775) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde
PubChem CID88940775
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde
SMILESCOCCn1cc(C=O)c2c(C)cccc21
InChIInChI=1S/C13H15NO2/c1-10-4-3-5-12-13(10)11(9-15)8-14(12)6-7-16-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyGDOFCQOEQDNUMR-UHFFFAOYSA-N
XLogP2.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde (CID 88940775) is 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde is COCCn1cc(C=O)c2c(C)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde?
The InChIKey is GDOFCQOEQDNUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-4-3-5-12-13(10)11(9-15)8-14(12)6-7-16-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde?
1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde is sourced from PubChem (CID 88940775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).