[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol

C11H9FN2O2 — CID 115416170

IUPAC[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
SMILESOCc1cccc(Oc2cc(F)ncn2)c1
InChIInChI=1S/C11H9FN2O2/c12-10-5-11(14-7-13-10)16-9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2
InChIKeyKHWSICLSTSKSSR-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.90
Rot. Bonds3

About [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol

[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 115416170) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
PubChem CID115416170
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
SMILESOCc1cccc(Oc2cc(F)ncn2)c1
InChIInChI=1S/C11H9FN2O2/c12-10-5-11(14-7-13-10)16-9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2
InChIKeyKHWSICLSTSKSSR-UHFFFAOYSA-N
XLogP1.90
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol (CID 115416170) is [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol is OCc1cccc(Oc2cc(F)ncn2)c1.
What is the InChIKey of [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is KHWSICLSTSKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-10-5-11(14-7-13-10)16-9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2.
What are the key properties of [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol?
[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 220.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 115416170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).