2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one

C18H14F2N2O2 — CID 47557182

IUPAC2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-14-7-6-13(10-15(14)20)17(23)11-22-18(24)9-8-16(21-22)12-4-2-1-3-5-12/h1-10,17,23H,11H2
InChIKeyJRUNEGMUIYAGPH-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one

2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one (PubChem CID 47557182) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
PubChem CID47557182
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-14-7-6-13(10-15(14)20)17(23)11-22-18(24)9-8-16(21-22)12-4-2-1-3-5-12/h1-10,17,23H,11H2
InChIKeyJRUNEGMUIYAGPH-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one (CID 47557182) is 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The InChIKey is JRUNEGMUIYAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-14-7-6-13(10-15(14)20)17(23)11-22-18(24)9-8-16(21-22)12-4-2-1-3-5-12/h1-10,17,23H,11H2.
What are the key properties of 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one has a molecular weight of 328.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 47557182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).