2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

C16H11Cl2FOS — CID 107312501

IUPAC2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-12-3-1-2-10(16(12)18)6-13(20)15-7-9-4-5-11(19)8-14(9)21-15/h1-5,7-8,13,20H,6H2
InChIKeyJAYGRXAIXIFVIV-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.62
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 107312501) has the molecular formula C16H11Cl2FOS and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID107312501
Molecular FormulaC16H11Cl2FOS
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-12-3-1-2-10(16(12)18)6-13(20)15-7-9-4-5-11(19)8-14(9)21-15/h1-5,7-8,13,20H,6H2
InChIKeyJAYGRXAIXIFVIV-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.23
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81104818
2-(2,3-dichlorophenyl)-1-(2,4-difluorophenyl)ethanol
CID 107307451
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 107312537
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (CID 107312501) is 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is JAYGRXAIXIFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FOS/c17-12-3-1-2-10(16(12)18)6-13(20)15-7-9-4-5-11(19)8-14(9)21-15/h1-5,7-8,13,20H,6H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 341.23 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 107312501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).