1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol

C13H12ClFN2O2 — CID 107995606

IUPAC1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)c2ccc(Cl)c(F)c2)ncn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-6-9(16-7-17-13)5-12(18)8-2-3-10(14)11(15)4-8/h2-4,6-7,12,18H,5H2,1H3
InChIKeyXQRJYYTZCJVOGN-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol

1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 107995606) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID107995606
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)c2ccc(Cl)c(F)c2)ncn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-6-9(16-7-17-13)5-12(18)8-2-3-10(14)11(15)4-8/h2-4,6-7,12,18H,5H2,1H3
InChIKeyXQRJYYTZCJVOGN-UHFFFAOYSA-N
XLogP2.55
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 113397524
4-[2-(3-bromo-4-chlorophenyl)-2-chloroethyl]-6-methoxypyrimidine
CID 107995691
4-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-6-methoxypyrimidine
CID 113397606
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
CID 66320386
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
2-(6-methoxypyrimidin-4-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 114031534
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 102883534

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol (CID 107995606) is 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(CC(O)c2ccc(Cl)c(F)c2)ncn1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is XQRJYYTZCJVOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-19-13-6-9(16-7-17-13)5-12(18)8-2-3-10(14)11(15)4-8/h2-4,6-7,12,18H,5H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol?
1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 282.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 107995606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).