2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

C14H15FN2O2 — CID 102950239

IUPAC2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2cc(F)ccc2C)ncn1
InChIInChI=1S/C14H15FN2O2/c1-9-3-4-11(15)5-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8,13,18H,6H2,1-2H3
InChIKeyXRPYXZSFFUHOKX-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 102950239) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID102950239
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2cc(F)ccc2C)ncn1
InChIInChI=1S/C14H15FN2O2/c1-9-3-4-11(15)5-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8,13,18H,6H2,1-2H3
InChIKeyXRPYXZSFFUHOKX-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-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114938079
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (CID 102950239) is 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(C(O)Cc2cc(F)ccc2C)ncn1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is XRPYXZSFFUHOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-3-4-11(15)5-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8,13,18H,6H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-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-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 102950239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).