2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol

C12H9Cl3OS — CID 65150596

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H9Cl3OS/c13-8-2-1-3-9(14)12(8)10(16)6-7-4-5-11(15)17-7/h1-5,10,16H,6H2
InChIKeyUSXGWTKBSZLUBF-UHFFFAOYSA-N
MW307.63 g/mol
LogP4.98
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol

2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol (PubChem CID 65150596) has the molecular formula C12H9Cl3OS and a molecular weight of 307.63 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
PubChem CID65150596
Molecular FormulaC12H9Cl3OS
Molecular Weight307.63 g/mol
Exact Mass305.94
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H9Cl3OS/c13-8-2-1-3-9(14)12(8)10(16)6-7-4-5-11(15)17-7/h1-5,10,16H,6H2
InChIKeyUSXGWTKBSZLUBF-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 63519306
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol (CID 65150596) is 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol?
The InChIKey is USXGWTKBSZLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3OS/c13-8-2-1-3-9(14)12(8)10(16)6-7-4-5-11(15)17-7/h1-5,10,16H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol has a molecular weight of 307.63 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 65150596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).