2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

C13H12F2O2S — CID 81128653

IUPAC2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2c(F)cccc2F)c1
InChIInChI=1S/C13H12F2O2S/c1-17-8-5-13(18-7-8)12(16)6-9-10(14)3-2-4-11(9)15/h2-5,7,12,16H,6H2,1H3
InChIKeyWDQOBJBBHPEORS-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.31
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (PubChem CID 81128653) has the molecular formula C13H12F2O2S and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
PubChem CID81128653
Molecular FormulaC13H12F2O2S
Molecular Weight270.30 g/mol
Exact Mass270.05
IUPAC Name2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2c(F)cccc2F)c1
InChIInChI=1S/C13H12F2O2S/c1-17-8-5-13(18-7-8)12(16)6-9-10(14)3-2-4-11(9)15/h2-5,7,12,16H,6H2,1H3
InChIKeyWDQOBJBBHPEORS-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115830281
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115786578
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129746
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
[(2,6-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105308168
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (CID 81128653) is 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is COc1csc(C(O)Cc2c(F)cccc2F)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The InChIKey is WDQOBJBBHPEORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2S/c1-17-8-5-13(18-7-8)12(16)6-9-10(14)3-2-4-11(9)15/h2-5,7,12,16H,6H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol has a molecular weight of 270.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 81128653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).