4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol

C15H11FN2O2 — CID 117229517

IUPAC4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
SMILESOc1ccc(Oc2cnn(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C15H11FN2O2/c16-11-2-1-3-12(8-11)18-10-15(9-17-18)20-14-6-4-13(19)5-7-14/h1-10,19H
InChIKeyFEGRILOOITZUKC-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.51
Rot. Bonds3

About 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol

4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol (PubChem CID 117229517) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
PubChem CID117229517
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
SMILESOc1ccc(Oc2cnn(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C15H11FN2O2/c16-11-2-1-3-12(8-11)18-10-15(9-17-18)20-14-6-4-13(19)5-7-14/h1-10,19H
InChIKeyFEGRILOOITZUKC-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol?
The IUPAC name of 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol (CID 117229517) is 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol?
The canonical SMILES for 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol is Oc1ccc(Oc2cnn(-c3cccc(F)c3)c2)cc1.
What is the InChIKey of 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol?
The InChIKey is FEGRILOOITZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-2-1-3-12(8-11)18-10-15(9-17-18)20-14-6-4-13(19)5-7-14/h1-10,19H.
What are the key properties of 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol?
4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol has a molecular weight of 270.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol is sourced from PubChem (CID 117229517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).