2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C16H11Cl2FOS — CID 105088041

IUPAC2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-12-3-1-9(5-13(12)18)6-14(20)16-8-10-7-11(19)2-4-15(10)21-16/h1-5,7-8,14,20H,6H2
InChIKeyJYWUZBFDSLRKEI-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.62
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105088041) has the molecular formula C16H11Cl2FOS and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105088041
Molecular FormulaC16H11Cl2FOS
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-12-3-1-9(5-13(12)18)6-14(20)16-8-10-7-11(19)2-4-15(10)21-16/h1-5,7-8,14,20H,6H2
InChIKeyJYWUZBFDSLRKEI-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-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105136466
2-(3-chloro-4-fluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 103043126
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105088041) is 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is JYWUZBFDSLRKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FOS/c17-12-3-1-9(5-13(12)18)6-14(20)16-8-10-7-11(19)2-4-15(10)21-16/h1-5,7-8,14,20H,6H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(5-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-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105088041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).