2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol

C14H15FN2O2 — CID 104793243

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2ccnc(C)n2)c1F
InChIInChI=1S/C14H15FN2O2/c1-9-16-7-6-11(17-9)12(18)8-10-4-3-5-13(19-2)14(10)15/h3-7,12,18H,8H2,1-2H3
InChIKeyNXFJSMVTZKCBBG-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds4

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

2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol (PubChem CID 104793243) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
PubChem CID104793243
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2ccnc(C)n2)c1F
InChIInChI=1S/C14H15FN2O2/c1-9-16-7-6-11(17-9)12(18)8-10-4-3-5-13(19-2)14(10)15/h3-7,12,18H,8H2,1-2H3
InChIKeyNXFJSMVTZKCBBG-UHFFFAOYSA-N
XLogP2.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.21
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
2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527940
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
CID 113453764
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
CID 104793687
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527859
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol (CID 104793243) is 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol is COc1cccc(CC(O)c2ccnc(C)n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The InChIKey is NXFJSMVTZKCBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-16-7-6-11(17-9)12(18)8-10-4-3-5-13(19-2)14(10)15/h3-7,12,18H,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol has a molecular weight of 262.28 g/mol, XLogP of 2.21, 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-(2-methylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 104793243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).