3-ethyl-7-methoxy-1-(3-methoxypropyl)indole

C15H21NO2 — CID 59494067

IUPAC3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
SMILESCCc1cn(CCCOC)c2c(OC)cccc12
InChIInChI=1S/C15H21NO2/c1-4-12-11-16(9-6-10-17-2)15-13(12)7-5-8-14(15)18-3/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyODDBWZYFNXHJJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.25
Rot. Bonds6

About 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole

3-ethyl-7-methoxy-1-(3-methoxypropyl)indole (PubChem CID 59494067) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole.

Molecular Properties

Compound Name3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
PubChem CID59494067
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
SMILESCCc1cn(CCCOC)c2c(OC)cccc12
InChIInChI=1S/C15H21NO2/c1-4-12-11-16(9-6-10-17-2)15-13(12)7-5-8-14(15)18-3/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyODDBWZYFNXHJJQ-UHFFFAOYSA-N
XLogP3.25
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole?
The IUPAC name of 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole (CID 59494067) is 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole.
What is the SMILES notation for 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole?
The canonical SMILES for 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole is CCc1cn(CCCOC)c2c(OC)cccc12.
What is the InChIKey of 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole?
The InChIKey is ODDBWZYFNXHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-12-11-16(9-6-10-17-2)15-13(12)7-5-8-14(15)18-3/h5,7-8,11H,4,6,9-10H2,1-3H3.
What are the key properties of 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole?
3-ethyl-7-methoxy-1-(3-methoxypropyl)indole has a molecular weight of 247.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-1-(3-methoxypropyl)indole is sourced from PubChem (CID 59494067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).