3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one

C15H16N2O3 — CID 103373254

IUPAC3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(OC)nn2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(20-2)17-16-13/h3-4,6-8,10H,5,9H2,1-2H3
InChIKeyLARINOWRFDOSOD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.31
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one

3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one (PubChem CID 103373254) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
PubChem CID103373254
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(OC)nn2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(20-2)17-16-13/h3-4,6-8,10H,5,9H2,1-2H3
InChIKeyLARINOWRFDOSOD-UHFFFAOYSA-N
XLogP2.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(6-methoxypyridazin-3-yl)butan-1-one
CID 103373279
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
(6-methoxypyridazin-3-yl)-(4-propylphenyl)methanone
CID 103373224
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114272870
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
5-(4-methoxyphenyl)pentanamide
CID 134389506
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one (CID 103373254) is 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one is COc1ccc(CCC(=O)c2ccc(OC)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one?
The InChIKey is LARINOWRFDOSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(20-2)17-16-13/h3-4,6-8,10H,5,9H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one has a molecular weight of 272.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one is sourced from PubChem (CID 103373254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).