3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole

C20H23NO2S — CID 163442021

IUPAC3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole
SMILESOS1(c2cn(CCOc3ccccc3)c3ccccc23)CCCC1
InChIInChI=1S/C20H23NO2S/c22-24(14-6-7-15-24)20-16-21(19-11-5-4-10-18(19)20)12-13-23-17-8-2-1-3-9-17/h1-5,8-11,16,22H,6-7,12-15H2
InChIKeyAZISMCXPQKNJGD-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.15
Rot. Bonds5

About 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole

3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole (PubChem CID 163442021) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole.

Molecular Properties

Compound Name3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole
PubChem CID163442021
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole
SMILESOS1(c2cn(CCOc3ccccc3)c3ccccc23)CCCC1
InChIInChI=1S/C20H23NO2S/c22-24(14-6-7-15-24)20-16-21(19-11-5-4-10-18(19)20)12-13-23-17-8-2-1-3-9-17/h1-5,8-11,16,22H,6-7,12-15H2
InChIKeyAZISMCXPQKNJGD-UHFFFAOYSA-N
XLogP5.15
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethione
CID 1324805
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
ethyl (E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoate
CID 6186137
2-cyano-N-methyl-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide
CID 827856
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 155609725
(Z)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide
CID 1132198
[1-(2-cyanoethyl)indol-3-yl]methyl-(2-phenoxyethyl)azanium
CID 8024932
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole?
The IUPAC name of 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole (CID 163442021) is 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole.
What is the SMILES notation for 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole?
The canonical SMILES for 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole is OS1(c2cn(CCOc3ccccc3)c3ccccc23)CCCC1.
What is the InChIKey of 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole?
The InChIKey is AZISMCXPQKNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-24(14-6-7-15-24)20-16-21(19-11-5-4-10-18(19)20)12-13-23-17-8-2-1-3-9-17/h1-5,8-11,16,22H,6-7,12-15H2.
What are the key properties of 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole?
3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole has a molecular weight of 341.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole is sourced from PubChem (CID 163442021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).