2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol

C12H9BrClFOS — CID 62944185

IUPAC2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C12H9BrClFOS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(15)5-10(8)14/h1-5,11,16H,6H2
InChIKeyOLUIUABNJGUFCR-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.58
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol

2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 62944185) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
PubChem CID62944185
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C12H9BrClFOS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(15)5-10(8)14/h1-5,11,16H,6H2
InChIKeyOLUIUABNJGUFCR-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol (CID 62944185) is 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol is OC(Cc1sccc1Br)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is OLUIUABNJGUFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c13-9-3-4-17-12(9)6-11(16)8-2-1-7(15)5-10(8)14/h1-5,11,16H,6H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol has a molecular weight of 335.63 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 62944185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).