2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one

C18H15FN2O2 — CID 110905256

IUPAC2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC(O)c1ccccc1F
InChIInChI=1S/C18H15FN2O2/c19-15-9-5-4-8-14(15)17(22)12-21-18(23)11-10-16(20-21)13-6-2-1-3-7-13/h1-11,17,22H,12H2
InChIKeyQBHRGRQHHDBNDZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one

2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one (PubChem CID 110905256) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
PubChem CID110905256
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC(O)c1ccccc1F
InChIInChI=1S/C18H15FN2O2/c19-15-9-5-4-8-14(15)17(22)12-21-18(23)11-10-16(20-21)13-6-2-1-3-7-13/h1-11,17,22H,12H2
InChIKeyQBHRGRQHHDBNDZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one (CID 110905256) is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CC(O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
The InChIKey is QBHRGRQHHDBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-9-5-4-8-14(15)17(22)12-21-18(23)11-10-16(20-21)13-6-2-1-3-7-13/h1-11,17,22H,12H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one?
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one has a molecular weight of 310.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 110905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).