2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol

C12H13FO2S — CID 114726596

IUPAC2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESCCSCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H13FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6,10,14H,2,7H2,1H3
InChIKeyHTZDXRROVLZXMV-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.36
Rot. Bonds4

About 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol

2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol (PubChem CID 114726596) has the molecular formula C12H13FO2S and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
PubChem CID114726596
Molecular FormulaC12H13FO2S
Molecular Weight240.30 g/mol
Exact Mass240.06
IUPAC Name2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESCCSCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H13FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6,10,14H,2,7H2,1H3
InChIKeyHTZDXRROVLZXMV-UHFFFAOYSA-N
XLogP3.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
CID 105225894
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol (CID 114726596) is 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol is CCSCC(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The InChIKey is HTZDXRROVLZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6,10,14H,2,7H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol has a molecular weight of 240.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114726596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).