4-propoxy-1-(2-propoxyethyl)indole

C16H23NO2 — CID 106458022

IUPAC4-propoxy-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2c(OCCC)cccc21
InChIInChI=1S/C16H23NO2/c1-3-11-18-13-10-17-9-8-14-15(17)6-5-7-16(14)19-12-4-2/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPHSUWZKNADFBJJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.86
Rot. Bonds8

About 4-propoxy-1-(2-propoxyethyl)indole

4-propoxy-1-(2-propoxyethyl)indole (PubChem CID 106458022) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-propoxy-1-(2-propoxyethyl)indole.

Molecular Properties

Compound Name4-propoxy-1-(2-propoxyethyl)indole
PubChem CID106458022
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-propoxy-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2c(OCCC)cccc21
InChIInChI=1S/C16H23NO2/c1-3-11-18-13-10-17-9-8-14-15(17)6-5-7-16(14)19-12-4-2/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPHSUWZKNADFBJJ-UHFFFAOYSA-N
XLogP3.86
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-propoxy-1-(2-propoxyethyl)indole with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
CID 83164938
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1-(2-propoxyethyl)indole?
The IUPAC name of 4-propoxy-1-(2-propoxyethyl)indole (CID 106458022) is 4-propoxy-1-(2-propoxyethyl)indole.
What is the SMILES notation for 4-propoxy-1-(2-propoxyethyl)indole?
The canonical SMILES for 4-propoxy-1-(2-propoxyethyl)indole is CCCOCCn1ccc2c(OCCC)cccc21.
What is the InChIKey of 4-propoxy-1-(2-propoxyethyl)indole?
The InChIKey is PHSUWZKNADFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-11-18-13-10-17-9-8-14-15(17)6-5-7-16(14)19-12-4-2/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of 4-propoxy-1-(2-propoxyethyl)indole?
4-propoxy-1-(2-propoxyethyl)indole has a molecular weight of 261.36 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1-(2-propoxyethyl)indole is sourced from PubChem (CID 106458022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).