1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol

C13H12Cl2OS — CID 102764589

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)cc2)sc1Cl
InChIInChI=1S/C13H12Cl2OS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11,16H,7H2,1H3
InChIKeyWBJDHYJSTCNOIT-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.64
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol

1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol (PubChem CID 102764589) has the molecular formula C13H12Cl2OS and a molecular weight of 287.21 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
PubChem CID102764589
Molecular FormulaC13H12Cl2OS
Molecular Weight287.21 g/mol
Exact Mass286.00
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)cc2)sc1Cl
InChIInChI=1S/C13H12Cl2OS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11,16H,7H2,1H3
InChIKeyWBJDHYJSTCNOIT-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 102764061
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 102763454
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol (CID 102764589) is 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol is Cc1cc(C(O)Cc2ccc(Cl)cc2)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol?
The InChIKey is WBJDHYJSTCNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2OS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11,16H,7H2,1H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol?
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol has a molecular weight of 287.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 102764589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).