1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol

C11H11FO2S — CID 115819038

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H11FO2S/c1-14-6-9(13)11-4-7-2-3-8(12)5-10(7)15-11/h2-5,9,13H,6H2,1H3
InChIKeyBOTNOPNNCIPTIP-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.72
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol (PubChem CID 115819038) has the molecular formula C11H11FO2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
PubChem CID115819038
Molecular FormulaC11H11FO2S
Molecular Weight226.27 g/mol
Exact Mass226.05
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H11FO2S/c1-14-6-9(13)11-4-7-2-3-8(12)5-10(7)15-11/h2-5,9,13H,6H2,1H3
InChIKeyBOTNOPNNCIPTIP-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-N',3-dihydroxypropanimidamide
CID 167565890
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 81104803

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol (CID 115819038) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol is COCC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol?
The InChIKey is BOTNOPNNCIPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S/c1-14-6-9(13)11-4-7-2-3-8(12)5-10(7)15-11/h2-5,9,13H,6H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol has a molecular weight of 226.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol is sourced from PubChem (CID 115819038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).