5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole

C17H23NO2 — CID 116623986

IUPAC5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
SMILESCCOc1ccc2c(ccn2CCCC2CCCO2)c1
InChIInChI=1S/C17H23NO2/c1-2-19-16-7-8-17-14(13-16)9-11-18(17)10-3-5-15-6-4-12-20-15/h7-9,11,13,15H,2-6,10,12H2,1H3
InChIKeyARYMAZDSEZHLOB-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.00
Rot. Bonds6

About 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole

5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole (PubChem CID 116623986) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole.

Molecular Properties

Compound Name5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
PubChem CID116623986
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
SMILESCCOc1ccc2c(ccn2CCCC2CCCO2)c1
InChIInChI=1S/C17H23NO2/c1-2-19-16-7-8-17-14(13-16)9-11-18(17)10-3-5-15-6-4-12-20-15/h7-9,11,13,15H,2-6,10,12H2,1H3
InChIKeyARYMAZDSEZHLOB-UHFFFAOYSA-N
XLogP4.00
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
CID 80649263
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole?
The IUPAC name of 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole (CID 116623986) is 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole.
What is the SMILES notation for 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole?
The canonical SMILES for 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole is CCOc1ccc2c(ccn2CCCC2CCCO2)c1.
What is the InChIKey of 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole?
The InChIKey is ARYMAZDSEZHLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-19-16-7-8-17-14(13-16)9-11-18(17)10-3-5-15-6-4-12-20-15/h7-9,11,13,15H,2-6,10,12H2,1H3.
What are the key properties of 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole?
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole has a molecular weight of 273.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole is sourced from PubChem (CID 116623986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).