6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one

C18H16N2O3 — CID 56850592

IUPAC6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyTYUHPTJSUOHAKC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one (PubChem CID 56850592) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
PubChem CID56850592
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyTYUHPTJSUOHAKC-UHFFFAOYSA-N
XLogP2.92
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
6-methoxy-2-phenylpyridazin-3-one
CID 6456935
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
3,5-bis(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole
CID 19587583
2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-2-phenylacetic acid
CID 53369781
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95394900
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 27375067
methyl (2S)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7659911

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one (CID 56850592) is 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one is COc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one?
The InChIKey is TYUHPTJSUOHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 56850592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).