2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

C16H11Cl2FOS — CID 115785055

IUPAC2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-11-3-1-9(13(18)7-11)5-14(20)16-6-10-2-4-12(19)8-15(10)21-16/h1-4,6-8,14,20H,5H2
InChIKeyBIOJWMONQHTZML-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.62
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol

2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 115785055) has the molecular formula C16H11Cl2FOS and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID115785055
Molecular FormulaC16H11Cl2FOS
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FOS/c17-11-3-1-9(13(18)7-11)5-14(20)16-6-10-2-4-12(19)8-15(10)21-16/h1-4,6-8,14,20H,5H2
InChIKeyBIOJWMONQHTZML-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

Analyze 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81104818
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol (CID 115785055) is 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)cc1Cl)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is BIOJWMONQHTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FOS/c17-11-3-1-9(13(18)7-11)5-14(20)16-6-10-2-4-12(19)8-15(10)21-16/h1-4,6-8,14,20H,5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2,4-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-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 115785055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).