1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde

C17H14FNO2 — CID 820163

IUPAC1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11-12H,9-10H2
InChIKeyLZDGENIAAFJSHO-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde

1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde (PubChem CID 820163) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde
PubChem CID820163
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11-12H,9-10H2
InChIKeyLZDGENIAAFJSHO-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.67
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-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde (CID 820163) is 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde is O=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde?
The InChIKey is LZDGENIAAFJSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11-12H,9-10H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde?
1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde has a molecular weight of 283.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]indole-3-carbaldehyde is sourced from PubChem (CID 820163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).