3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol

C10H12O2S — CID 117200294

IUPAC3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESOCCC1CSc2cccc(O)c21
InChIInChI=1S/C10H12O2S/c11-5-4-7-6-13-9-3-1-2-8(12)10(7)9/h1-3,7,11-12H,4-6H2
InChIKeyGVOAZDDZIZONEO-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.96
Rot. Bonds2

About 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol

3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol (PubChem CID 117200294) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
PubChem CID117200294
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESOCCC1CSc2cccc(O)c21
InChIInChI=1S/C10H12O2S/c11-5-4-7-6-13-9-3-1-2-8(12)10(7)9/h1-3,7,11-12H,4-6H2
InChIKeyGVOAZDDZIZONEO-UHFFFAOYSA-N
XLogP1.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200332
2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 117200338
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
3-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199872
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117199847
(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
CID 131036789
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633
2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
CID 117203047
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)acetaldehyde
CID 117199804
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
CID 117203035

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol?
The IUPAC name of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol (CID 117200294) is 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol?
The canonical SMILES for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol is OCCC1CSc2cccc(O)c21.
What is the InChIKey of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol?
The InChIKey is GVOAZDDZIZONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-5-4-7-6-13-9-3-1-2-8(12)10(7)9/h1-3,7,11-12H,4-6H2.
What are the key properties of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol?
3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol has a molecular weight of 196.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol is sourced from PubChem (CID 117200294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).