1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol

C13H12F2O2S — CID 55151573

IUPAC1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2O2S/c14-13(15)17-10-5-3-9(4-6-10)12(16)8-11-2-1-7-18-11/h1-7,12-13,16H,8H2
InChIKeyJITMKWGLOJNPLY-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.63
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol

1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol (PubChem CID 55151573) has the molecular formula C13H12F2O2S and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
PubChem CID55151573
Molecular FormulaC13H12F2O2S
Molecular Weight270.30 g/mol
Exact Mass270.05
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2O2S/c14-13(15)17-10-5-3-9(4-6-10)12(16)8-11-2-1-7-18-11/h1-7,12-13,16H,8H2
InChIKeyJITMKWGLOJNPLY-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 109495048
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol (CID 55151573) is 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol?
The InChIKey is JITMKWGLOJNPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2S/c14-13(15)17-10-5-3-9(4-6-10)12(16)8-11-2-1-7-18-11/h1-7,12-13,16H,8H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol?
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol has a molecular weight of 270.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol is sourced from PubChem (CID 55151573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).