2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one

C20H20N2O2 — CID 50899360

IUPAC2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESO=c1ccc(CCOCc2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20-12-11-19(13-14-24-16-18-9-5-2-6-10-18)21-22(20)15-17-7-3-1-4-8-17/h1-12H,13-16H2
InChIKeyIKWAAKQGPWEPGQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.05
Rot. Bonds7

About 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one

2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one (PubChem CID 50899360) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
PubChem CID50899360
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESO=c1ccc(CCOCc2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20-12-11-19(13-14-24-16-18-9-5-2-6-10-18)21-22(20)15-17-7-3-1-4-8-17/h1-12H,13-16H2
InChIKeyIKWAAKQGPWEPGQ-UHFFFAOYSA-N
XLogP3.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
1-[5-(4-methylphenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3897232
2-benzyl-6-(4-methoxystyryl)-3(2H)-pyridazinone
CID 5707547
methyl 4-{[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]methyl}benzoate
CID 16014461
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
Dibenzyl 2-[(1-benzyl-6-oxopyridazin-4-yl)methylidene]propanedioate
CID 24748773
2-Benzyl-6-(phenylmethoxymethyl)pyridazin-3-one
CID 50899359
2-Benzyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
CID 50899361
2-Methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
CID 52941823
2-Methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
CID 52947898
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one (CID 50899360) is 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one is O=c1ccc(CCOCc2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The InChIKey is IKWAAKQGPWEPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20-12-11-19(13-14-24-16-18-9-5-2-6-10-18)21-22(20)15-17-7-3-1-4-8-17/h1-12H,13-16H2.
What are the key properties of 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one has a molecular weight of 320.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one is sourced from PubChem (CID 50899360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).