3-(1-benzothiophen-2-yl)propan-1-ol;ethane

C13H18OS — CID 143234864

IUPAC3-(1-benzothiophen-2-yl)propan-1-ol;ethane
SMILESCC.OCCCc1cc2ccccc2s1
InChIInChI=1S/C11H12OS.C2H6/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10;1-2/h1-2,4,6,8,12H,3,5,7H2;1-2H3
InChIKeyPXYZIXFYXJICDQ-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.85
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)propan-1-ol;ethane

3-(1-benzothiophen-2-yl)propan-1-ol;ethane (PubChem CID 143234864) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)propan-1-ol;ethane
PubChem CID143234864
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name3-(1-benzothiophen-2-yl)propan-1-ol;ethane
SMILESCC.OCCCc1cc2ccccc2s1
InChIInChI=1S/C11H12OS.C2H6/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10;1-2/h1-2,4,6,8,12H,3,5,7H2;1-2H3
InChIKeyPXYZIXFYXJICDQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-benzothiophene
CID 70061043
2-(fluoromethyl)-1-benzothiophene
CID 119085404
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-(2-azidoethyl)-1-benzothiophene
CID 150941622
[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane
CID 54216367
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
CID 75452842
1-benzothiophen-2-ylmethyl(ethyl)azanium
CID 7175906
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
(1S,2R,3S)-3-[3-(1-benzothiophen-2-yl)propyl]-2-heptylcyclopentan-1-ol
CID 134386792

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)propan-1-ol;ethane?
The IUPAC name of 3-(1-benzothiophen-2-yl)propan-1-ol;ethane (CID 143234864) is 3-(1-benzothiophen-2-yl)propan-1-ol;ethane.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)propan-1-ol;ethane?
The canonical SMILES for 3-(1-benzothiophen-2-yl)propan-1-ol;ethane is CC.OCCCc1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)propan-1-ol;ethane?
The InChIKey is PXYZIXFYXJICDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS.C2H6/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10;1-2/h1-2,4,6,8,12H,3,5,7H2;1-2H3.
What are the key properties of 3-(1-benzothiophen-2-yl)propan-1-ol;ethane?
3-(1-benzothiophen-2-yl)propan-1-ol;ethane has a molecular weight of 222.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)propan-1-ol;ethane is sourced from PubChem (CID 143234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).