7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde

C13H15NO3 — CID 170344098

IUPAC7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde
SMILESCOCCn1c(C=O)cc2cccc(OC)c21
InChIInChI=1S/C13H15NO3/c1-16-7-6-14-11(9-15)8-10-4-3-5-12(17-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYETZWOGWKBHGPW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.11
Rot. Bonds5

About 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde

7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde (PubChem CID 170344098) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde
PubChem CID170344098
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde
SMILESCOCCn1c(C=O)cc2cccc(OC)c21
InChIInChI=1S/C13H15NO3/c1-16-7-6-14-11(9-15)8-10-4-3-5-12(17-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyYETZWOGWKBHGPW-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde?
The IUPAC name of 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde (CID 170344098) is 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde is COCCn1c(C=O)cc2cccc(OC)c21.
What is the InChIKey of 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde?
The InChIKey is YETZWOGWKBHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-7-6-14-11(9-15)8-10-4-3-5-12(17-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde?
7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde is sourced from PubChem (CID 170344098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).