1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol

C12H9Br2ClOS — CID 115790843

IUPAC1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5,11,16H,6H2
InChIKeyXAALWBQETIWVHH-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol (PubChem CID 115790843) has the molecular formula C12H9Br2ClOS and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
PubChem CID115790843
Molecular FormulaC12H9Br2ClOS
Molecular Weight396.53 g/mol
Exact Mass393.84
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5,11,16H,6H2
InChIKeyXAALWBQETIWVHH-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 62944185
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol (CID 115790843) is 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol is OC(Cc1sccc1Br)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol?
The InChIKey is XAALWBQETIWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5,11,16H,6H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol has a molecular weight of 396.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 115790843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).