2-(4-fluorophenoxy)-1-thiophen-2-ylethanol

C12H11FO2S — CID 117240196

IUPAC2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
SMILESOC(COc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11FO2S/c13-9-3-5-10(6-4-9)15-8-11(14)12-2-1-7-16-12/h1-7,11,14H,8H2
InChIKeyOFQGDSSUENSLEY-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol

2-(4-fluorophenoxy)-1-thiophen-2-ylethanol (PubChem CID 117240196) has the molecular formula C12H11FO2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
PubChem CID117240196
Molecular FormulaC12H11FO2S
Molecular Weight238.28 g/mol
Exact Mass238.05
IUPAC Name2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
SMILESOC(COc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11FO2S/c13-9-3-5-10(6-4-9)15-8-11(14)12-2-1-7-16-12/h1-7,11,14H,8H2
InChIKeyOFQGDSSUENSLEY-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
CID 154630453
2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284111
5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91300159
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol (CID 117240196) is 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol is OC(COc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol?
The InChIKey is OFQGDSSUENSLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2S/c13-9-3-5-10(6-4-9)15-8-11(14)12-2-1-7-16-12/h1-7,11,14H,8H2.
What are the key properties of 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol?
2-(4-fluorophenoxy)-1-thiophen-2-ylethanol has a molecular weight of 238.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-thiophen-2-ylethanol is sourced from PubChem (CID 117240196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).