1-(3-ethoxypropyl)-4-propoxyindole

C16H23NO2 — CID 83173539

IUPAC1-(3-ethoxypropyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCCOCC
InChIInChI=1S/C16H23NO2/c1-3-12-19-16-8-5-7-15-14(16)9-11-17(15)10-6-13-18-4-2/h5,7-9,11H,3-4,6,10,12-13H2,1-2H3
InChIKeyGUBFPESENWQCLW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.86
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-propoxyindole

1-(3-ethoxypropyl)-4-propoxyindole (PubChem CID 83173539) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-propoxyindole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-propoxyindole
PubChem CID83173539
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(3-ethoxypropyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCCOCC
InChIInChI=1S/C16H23NO2/c1-3-12-19-16-8-5-7-15-14(16)9-11-17(15)10-6-13-18-4-2/h5,7-9,11H,3-4,6,10,12-13H2,1-2H3
InChIKeyGUBFPESENWQCLW-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'}

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Related Compounds

3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
CID 83164938
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-propoxyindole?
The IUPAC name of 1-(3-ethoxypropyl)-4-propoxyindole (CID 83173539) is 1-(3-ethoxypropyl)-4-propoxyindole.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-propoxyindole?
The canonical SMILES for 1-(3-ethoxypropyl)-4-propoxyindole is CCCOc1cccc2c1ccn2CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-4-propoxyindole?
The InChIKey is GUBFPESENWQCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12-19-16-8-5-7-15-14(16)9-11-17(15)10-6-13-18-4-2/h5,7-9,11H,3-4,6,10,12-13H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-4-propoxyindole?
1-(3-ethoxypropyl)-4-propoxyindole 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 1-(3-ethoxypropyl)-4-propoxyindole is sourced from PubChem (CID 83173539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).