1-(3-phenoxypropyl)indole-3-carbaldehyde

C18H17NO2 — CID 2264373

IUPAC1-(3-phenoxypropyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCCOc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO2/c20-14-15-13-19(18-10-5-4-9-17(15)18)11-6-12-21-16-7-2-1-3-8-16/h1-5,7-10,13-14H,6,11-12H2
InChIKeyTUFHKWAMHITYSZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-phenoxypropyl)indole-3-carbaldehyde

1-(3-phenoxypropyl)indole-3-carbaldehyde (PubChem CID 2264373) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-phenoxypropyl)indole-3-carbaldehyde
PubChem CID2264373
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(3-phenoxypropyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCCOc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO2/c20-14-15-13-19(18-10-5-4-9-17(15)18)11-6-12-21-16-7-2-1-3-8-16/h1-5,7-10,13-14H,6,11-12H2
InChIKeyTUFHKWAMHITYSZ-UHFFFAOYSA-N
XLogP3.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-phenoxypropyl)indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)indole-3-carbaldehyde?
The IUPAC name of 1-(3-phenoxypropyl)indole-3-carbaldehyde (CID 2264373) is 1-(3-phenoxypropyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(3-phenoxypropyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(3-phenoxypropyl)indole-3-carbaldehyde is O=Cc1cn(CCCOc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(3-phenoxypropyl)indole-3-carbaldehyde?
The InChIKey is TUFHKWAMHITYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-14-15-13-19(18-10-5-4-9-17(15)18)11-6-12-21-16-7-2-1-3-8-16/h1-5,7-10,13-14H,6,11-12H2.
What are the key properties of 1-(3-phenoxypropyl)indole-3-carbaldehyde?
1-(3-phenoxypropyl)indole-3-carbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)indole-3-carbaldehyde is sourced from PubChem (CID 2264373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).