2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone

C13H12N2O2 — CID 105082938

IUPAC2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
SMILESCOc1ccccc1CC(=O)c1ccnnc1
InChIInChI=1S/C13H12N2O2/c1-17-13-5-3-2-4-10(13)8-12(16)11-6-7-14-15-9-11/h2-7,9H,8H2,1H3
InChIKeyWNBKUTOUWUETSH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone

2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone (PubChem CID 105082938) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
PubChem CID105082938
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
SMILESCOc1ccccc1CC(=O)c1ccnnc1
InChIInChI=1S/C13H12N2O2/c1-17-13-5-3-2-4-10(13)8-12(16)11-6-7-14-15-9-11/h2-7,9H,8H2,1H3
InChIKeyWNBKUTOUWUETSH-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 113460846
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
CID 63939387

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone (CID 105082938) is 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone is COc1ccccc1CC(=O)c1ccnnc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone?
The InChIKey is WNBKUTOUWUETSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13-5-3-2-4-10(13)8-12(16)11-6-7-14-15-9-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone?
2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone has a molecular weight of 228.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone is sourced from PubChem (CID 105082938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).