2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol

C13H13FN2O2 — CID 104793572

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
SMILESCOc1cccc(CC(O)c2ncccn2)c1F
InChIInChI=1S/C13H13FN2O2/c1-18-11-5-2-4-9(12(11)14)8-10(17)13-15-6-3-7-16-13/h2-7,10,17H,8H2,1H3
InChIKeyJAFIOJAAISXGOG-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol

2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol (PubChem CID 104793572) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
PubChem CID104793572
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
SMILESCOc1cccc(CC(O)c2ncccn2)c1F
InChIInChI=1S/C13H13FN2O2/c1-18-11-5-2-4-9(12(11)14)8-10(17)13-15-6-3-7-16-13/h2-7,10,17H,8H2,1H3
InChIKeyJAFIOJAAISXGOG-UHFFFAOYSA-N
XLogP1.90
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
CID 113453764
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
CID 104793687
1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol (CID 104793572) is 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol is COc1cccc(CC(O)c2ncccn2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol?
The InChIKey is JAFIOJAAISXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-18-11-5-2-4-9(12(11)14)8-10(17)13-15-6-3-7-16-13/h2-7,10,17H,8H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol?
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol has a molecular weight of 248.26 g/mol, XLogP of 1.90, 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-pyrimidin-2-ylethanol is sourced from PubChem (CID 104793572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).