2-(3-thiophen-2-yloxetan-3-yl)oxyethanol

C9H12O3S — CID 162405161

IUPAC2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
SMILESOCCOC1(c2cccs2)COC1
InChIInChI=1S/C9H12O3S/c10-3-4-12-9(6-11-7-9)8-2-1-5-13-8/h1-2,5,10H,3-4,6-7H2
InChIKeyVFDLEUJTJKHJDZ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol

2-(3-thiophen-2-yloxetan-3-yl)oxyethanol (PubChem CID 162405161) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
PubChem CID162405161
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
SMILESOCCOC1(c2cccs2)COC1
InChIInChI=1S/C9H12O3S/c10-3-4-12-9(6-11-7-9)8-2-1-5-13-8/h1-2,5,10H,3-4,6-7H2
InChIKeyVFDLEUJTJKHJDZ-UHFFFAOYSA-N
XLogP0.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-2-yloxetan-3-amine
CID 83682056
(1-thiophen-2-ylcyclopropyl) formate
CID 57171999
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682
3-thiophen-2-yloxolan-3-ol
CID 63331558
[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
CID 111975961
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
2-methyl-2-thiophen-2-yl-1,4-dioxane
CID 140537757
2-(3-thiophen-2-yloxolan-3-yl)acetic acid
CID 83821135
(2-cyclopropyl-2-thiophen-2-ylcyclopropyl)methanol
CID 81358092
[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116912949
2-hydroxyethoxy(thiophen-2-yl)borinic acid
CID 66918159

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol?
The IUPAC name of 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol (CID 162405161) is 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol.
What is the SMILES notation for 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol?
The canonical SMILES for 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol is OCCOC1(c2cccs2)COC1.
What is the InChIKey of 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol?
The InChIKey is VFDLEUJTJKHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c10-3-4-12-9(6-11-7-9)8-2-1-5-13-8/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol?
2-(3-thiophen-2-yloxetan-3-yl)oxyethanol has a molecular weight of 200.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yloxetan-3-yl)oxyethanol is sourced from PubChem (CID 162405161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).