2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol

C12H12FNO2S — CID 113453764

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2cscn2)c1F
InChIInChI=1S/C12H12FNO2S/c1-16-11-4-2-3-8(12(11)13)5-10(15)9-6-17-7-14-9/h2-4,6-7,10,15H,5H2,1H3
InChIKeyFHUKMMIDYOPWNG-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 113453764) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
PubChem CID113453764
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2cscn2)c1F
InChIInChI=1S/C12H12FNO2S/c1-16-11-4-2-3-8(12(11)13)5-10(15)9-6-17-7-14-9/h2-4,6-7,10,15H,5H2,1H3
InChIKeyFHUKMMIDYOPWNG-UHFFFAOYSA-N
XLogP2.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
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CID 104793222
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
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2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
CID 104793687
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
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1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol (CID 113453764) is 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol is COc1cccc(CC(O)c2cscn2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is FHUKMMIDYOPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-16-11-4-2-3-8(12(11)13)5-10(15)9-6-17-7-14-9/h2-4,6-7,10,15H,5H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol has a molecular weight of 253.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 113453764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).