4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one

C22H26N2O4 — CID 58061268

IUPAC4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
SMILESCCc1ccc(Oc2ccc(C)nn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C22H26N2O4/c1-7-14-9-10-15(27-17-11-8-13(2)23-24-17)12-16(14)18-19(25)21(3,4)28-22(5,6)20(18)26/h8-12,25H,7H2,1-6H3
InChIKeyDDIVTLIJFVQXPE-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.57
Rot. Bonds4

About 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one

4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one (PubChem CID 58061268) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one.

Molecular Properties

Compound Name4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
PubChem CID58061268
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
SMILESCCc1ccc(Oc2ccc(C)nn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C22H26N2O4/c1-7-14-9-10-15(27-17-11-8-13(2)23-24-17)12-16(14)18-19(25)21(3,4)28-22(5,6)20(18)26/h8-12,25H,7H2,1-6H3
InChIKeyDDIVTLIJFVQXPE-UHFFFAOYSA-N
XLogP4.57
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one with MolForge

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Related Compounds

2-(6-Methylpyridazin-3-yloxy)-3-methoxy-3,3-diphenylpropionic acid
CID 9950934
2-Methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]oxybenzoic acid
CID 107672519
(2S)-3-methoxy-2-(6-methylpyridazin-3-yl)oxy-3,3-diphenylpropanoic acid
CID 25004538
4-[5-(5,6-Dichloropyridazin-3-yl)oxy-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061058
4-[2-Ethyl-5-(6-methoxypyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061219
4-[5-(6-Chloro-4-methoxypyridazin-3-yl)oxy-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061228
4-[5-(6-Chloro-5-methylpyridazin-3-yl)oxy-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061377
4-[5-(6-Chloro-5-methoxypyridazin-3-yl)oxy-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061383
4-[5-(6-Bromopyridazin-3-yl)oxy-2-methylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061393
4-[2-[6-(4-Methoxyphenyl)pyridazin-3-yl]oxyethoxy]benzaldehyde
CID 58877784
4-[5-(6-Bromopyridazin-3-yl)oxy-2-methylphenyl]-2,2,6,6-tetramethyloxane-3,5-dione
CID 90771541
4-[2-Ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-2,2,6,6-tetramethyloxane-3,5-dione
CID 123248597

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The IUPAC name of 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one (CID 58061268) is 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one.
What is the SMILES notation for 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The canonical SMILES for 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one is CCc1ccc(Oc2ccc(C)nn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O.
What is the InChIKey of 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The InChIKey is DDIVTLIJFVQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-7-14-9-10-15(27-17-11-8-13(2)23-24-17)12-16(14)18-19(25)21(3,4)28-22(5,6)20(18)26/h8-12,25H,7H2,1-6H3.
What are the key properties of 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one has a molecular weight of 382.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-5-(6-methylpyridazin-3-yl)oxyphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one is sourced from PubChem (CID 58061268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).