2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one

C15H18N2O2 — CID 154754926

IUPAC2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
SMILESCc1ccc(C)c(OCCn2ncc(C)cc2=O)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-5-13(3)14(8-11)19-7-6-17-15(18)9-12(2)10-16-17/h4-5,8-10H,6-7H2,1-3H3
InChIKeyOGEYDZRIYUXBLO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds4

About 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one

2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one (PubChem CID 154754926) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
PubChem CID154754926
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
SMILESCc1ccc(C)c(OCCn2ncc(C)cc2=O)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-5-13(3)14(8-11)19-7-6-17-15(18)9-12(2)10-16-17/h4-5,8-10H,6-7H2,1-3H3
InChIKeyOGEYDZRIYUXBLO-UHFFFAOYSA-N
XLogP2.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548755
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
CID 106548705
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
1-[2-(2,5-dimethylphenoxy)ethyl]-5-methyltriazole-4-carboxylic acid
CID 62054182
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxophthalazine-1-carboxylate
CID 2460332
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one (CID 154754926) is 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one is Cc1ccc(C)c(OCCn2ncc(C)cc2=O)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one?
The InChIKey is OGEYDZRIYUXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-5-13(3)14(8-11)19-7-6-17-15(18)9-12(2)10-16-17/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one?
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one has a molecular weight of 258.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 154754926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).