1-(ethoxymethyl)indole-4-carbaldehyde

C12H13NO2 — CID 65369266

IUPAC1-(ethoxymethyl)indole-4-carbaldehyde
SMILESCCOCn1ccc2c(C=O)cccc21
InChIInChI=1S/C12H13NO2/c1-2-15-9-13-7-6-11-10(8-14)4-3-5-12(11)13/h3-8H,2,9H2,1H3
InChIKeyOODSOVNVHMVVFL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.45
Rot. Bonds4

About 1-(ethoxymethyl)indole-4-carbaldehyde

1-(ethoxymethyl)indole-4-carbaldehyde (PubChem CID 65369266) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(ethoxymethyl)indole-4-carbaldehyde.

Molecular Properties

Compound Name1-(ethoxymethyl)indole-4-carbaldehyde
PubChem CID65369266
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(ethoxymethyl)indole-4-carbaldehyde
SMILESCCOCn1ccc2c(C=O)cccc21
InChIInChI=1S/C12H13NO2/c1-2-15-9-13-7-6-11-10(8-14)4-3-5-12(11)13/h3-8H,2,9H2,1H3
InChIKeyOODSOVNVHMVVFL-UHFFFAOYSA-N
XLogP2.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.45
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-(ethoxymethyl)indole-4-carbaldehyde?
The IUPAC name of 1-(ethoxymethyl)indole-4-carbaldehyde (CID 65369266) is 1-(ethoxymethyl)indole-4-carbaldehyde.
What is the SMILES notation for 1-(ethoxymethyl)indole-4-carbaldehyde?
The canonical SMILES for 1-(ethoxymethyl)indole-4-carbaldehyde is CCOCn1ccc2c(C=O)cccc21.
What is the InChIKey of 1-(ethoxymethyl)indole-4-carbaldehyde?
The InChIKey is OODSOVNVHMVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-9-13-7-6-11-10(8-14)4-3-5-12(11)13/h3-8H,2,9H2,1H3.
What are the key properties of 1-(ethoxymethyl)indole-4-carbaldehyde?
1-(ethoxymethyl)indole-4-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)indole-4-carbaldehyde is sourced from PubChem (CID 65369266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).