1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol

C11H11ClO2S — CID 103408220

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
SMILESCc1csc(C(O)Cc2ccco2)c1Cl
InChIInChI=1S/C11H11ClO2S/c1-7-6-15-11(10(7)12)9(13)5-8-3-2-4-14-8/h2-4,6,9,13H,5H2,1H3
InChIKeyHRGCEUQKFNWSID-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol (PubChem CID 103408220) has the molecular formula C11H11ClO2S and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
PubChem CID103408220
Molecular FormulaC11H11ClO2S
Molecular Weight242.73 g/mol
Exact Mass242.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
SMILESCc1csc(C(O)Cc2ccco2)c1Cl
InChIInChI=1S/C11H11ClO2S/c1-7-6-15-11(10(7)12)9(13)5-8-3-2-4-14-8/h2-4,6,9,13H,5H2,1H3
InChIKeyHRGCEUQKFNWSID-UHFFFAOYSA-N
XLogP3.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 83175177
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(2,5-dimethylphenyl)-2-(furan-2-yl)ethanol
CID 83172156
2-(furan-2-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 130581429
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
1-(4-ethylthiadiazol-5-yl)-2-(furan-2-yl)ethanol
CID 105122955
2-(furan-2-yl)-1-(4-methyl-3-pyridinyl)ethanol
CID 83171669
2-(furan-2-yl)ethane-1,1-diol
CID 156698008

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol (CID 103408220) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol is Cc1csc(C(O)Cc2ccco2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol?
The InChIKey is HRGCEUQKFNWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S/c1-7-6-15-11(10(7)12)9(13)5-8-3-2-4-14-8/h2-4,6,9,13H,5H2,1H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol has a molecular weight of 242.73 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 103408220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).