3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one

C19H16N2O2 — CID 18440178

IUPAC3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2ccc(=O)[nH]n2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-13-7-8-14(11-16-9-10-18(22)21-20-16)12-17(13)19(23)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyCPMOGBNBPSWLOU-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.90
Rot. Bonds4

About 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one

3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 18440178) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
PubChem CID18440178
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2ccc(=O)[nH]n2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-13-7-8-14(11-16-9-10-18(22)21-20-16)12-17(13)19(23)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyCPMOGBNBPSWLOU-UHFFFAOYSA-N
XLogP2.90
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one (CID 18440178) is 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one is Cc1ccc(Cc2ccc(=O)[nH]n2)cc1C(=O)c1ccccc1.
What is the InChIKey of 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is CPMOGBNBPSWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-7-8-14(11-16-9-10-18(22)21-20-16)12-17(13)19(23)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 18440178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).