2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one

C18H15ClN2O2 — CID 53475593

IUPAC2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one
SMILESO=c1c(C(O)c2ccccc2)cc(Cl)nn1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-16-11-15(17(22)14-9-5-2-6-10-14)18(23)21(20-16)12-13-7-3-1-4-8-13/h1-11,17,22H,12H2
InChIKeyXOLOGEYHGJQOPY-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.03
Rot. Bonds4

About 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one

2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one (PubChem CID 53475593) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one
PubChem CID53475593
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one
SMILESO=c1c(C(O)c2ccccc2)cc(Cl)nn1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-16-11-15(17(22)14-9-5-2-6-10-14)18(23)21(20-16)12-13-7-3-1-4-8-13/h1-11,17,22H,12H2
InChIKeyXOLOGEYHGJQOPY-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one (CID 53475593) is 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one is O=c1c(C(O)c2ccccc2)cc(Cl)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one?
The InChIKey is XOLOGEYHGJQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-16-11-15(17(22)14-9-5-2-6-10-14)18(23)21(20-16)12-13-7-3-1-4-8-13/h1-11,17,22H,12H2.
What are the key properties of 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one?
2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one has a molecular weight of 326.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 53475593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).