1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol

C12H9BrCl2OS — CID 113298218

IUPAC1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1sccc1Br
InChIInChI=1S/C12H9BrCl2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2
InChIKeyITFGQYIUKOQZDY-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.09
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol

1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 113298218) has the molecular formula C12H9BrCl2OS and a molecular weight of 352.08 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID113298218
Molecular FormulaC12H9BrCl2OS
Molecular Weight352.08 g/mol
Exact Mass349.89
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1sccc1Br
InChIInChI=1S/C12H9BrCl2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2
InChIKeyITFGQYIUKOQZDY-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)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

1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623486
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol (CID 113298218) is 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is ITFGQYIUKOQZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol?
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 352.08 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 113298218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).