1-(2-phenoxyethyl)indole-3-carbaldehyde

C17H15NO2 — CID 775562

IUPAC1-(2-phenoxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c19-13-14-12-18(17-9-5-4-8-16(14)17)10-11-20-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2
InChIKeyFKONHADGXDSKNF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-phenoxyethyl)indole-3-carbaldehyde

1-(2-phenoxyethyl)indole-3-carbaldehyde (PubChem CID 775562) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-phenoxyethyl)indole-3-carbaldehyde
PubChem CID775562
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(2-phenoxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c19-13-14-12-18(17-9-5-4-8-16(14)17)10-11-20-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2
InChIKeyFKONHADGXDSKNF-UHFFFAOYSA-N
XLogP3.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
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-phenoxyethyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-phenoxyethyl)indole-3-carbaldehyde (CID 775562) is 1-(2-phenoxyethyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-phenoxyethyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-phenoxyethyl)indole-3-carbaldehyde is O=Cc1cn(CCOc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-phenoxyethyl)indole-3-carbaldehyde?
The InChIKey is FKONHADGXDSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-13-14-12-18(17-9-5-4-8-16(14)17)10-11-20-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2.
What are the key properties of 1-(2-phenoxyethyl)indole-3-carbaldehyde?
1-(2-phenoxyethyl)indole-3-carbaldehyde has a molecular weight of 265.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)indole-3-carbaldehyde is sourced from PubChem (CID 775562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).