2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol

C15H18O2S — CID 116875298

IUPAC2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol
SMILESCCC(CO)C1(c2csc3ccccc23)COC1
InChIInChI=1S/C15H18O2S/c1-2-11(7-16)15(9-17-10-15)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,16H,2,7,9-10H2,1H3
InChIKeyYBHJGBZEHAJJKK-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.19
Rot. Bonds4

About 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol

2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol (PubChem CID 116875298) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol
PubChem CID116875298
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol
SMILESCCC(CO)C1(c2csc3ccccc23)COC1
InChIInChI=1S/C15H18O2S/c1-2-11(7-16)15(9-17-10-15)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,16H,2,7,9-10H2,1H3
InChIKeyYBHJGBZEHAJJKK-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-benzothiophen-3-yl)oxetan-3-yl]propanoic acid
CID 116871968
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
CID 116875329
[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
CID 115248843
2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
CID 115137355
4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
CID 6984428
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
3-methyl-1-benzothiophene;zinc
CID 70563074
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol?
The IUPAC name of 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol (CID 116875298) is 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol.
What is the SMILES notation for 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol?
The canonical SMILES for 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol is CCC(CO)C1(c2csc3ccccc23)COC1.
What is the InChIKey of 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol?
The InChIKey is YBHJGBZEHAJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-2-11(7-16)15(9-17-10-15)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,16H,2,7,9-10H2,1H3.
What are the key properties of 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol?
2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol has a molecular weight of 262.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol is sourced from PubChem (CID 116875298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).