2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol

C12H9Cl2FO2 — CID 106694105

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C12H9Cl2FO2/c13-9-5-7(1-2-10(9)15)6-11(16)8-3-4-17-12(8)14/h1-5,11,16H,6H2
InChIKeyGWJKPKJOWKQGJK-UHFFFAOYSA-N
MW275.11 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol (PubChem CID 106694105) has the molecular formula C12H9Cl2FO2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
PubChem CID106694105
Molecular FormulaC12H9Cl2FO2
Molecular Weight275.11 g/mol
Exact Mass274.00
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C12H9Cl2FO2/c13-9-5-7(1-2-10(9)15)6-11(16)8-3-4-17-12(8)14/h1-5,11,16H,6H2
InChIKeyGWJKPKJOWKQGJK-UHFFFAOYSA-N
XLogP4.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894521
2-(3-chloro-4-fluorophenyl)-1-isoquinolin-1-ylethanol
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1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
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CID 103043689
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 103039152
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol (CID 106694105) is 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1ccoc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol?
The InChIKey is GWJKPKJOWKQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FO2/c13-9-5-7(1-2-10(9)15)6-11(16)8-3-4-17-12(8)14/h1-5,11,16H,6H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol has a molecular weight of 275.11 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol is sourced from PubChem (CID 106694105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).