2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one

C16H20N2O3 — CID 110929790

IUPAC2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
SMILESCc1cc(C)cc(OCC(O)Cn2nc(C)ccc2=O)c1
InChIInChI=1S/C16H20N2O3/c1-11-6-12(2)8-15(7-11)21-10-14(19)9-18-16(20)5-4-13(3)17-18/h4-8,14,19H,9-10H2,1-3H3
InChIKeyCOHIVKBSADDVFA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one

2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one (PubChem CID 110929790) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
PubChem CID110929790
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
SMILESCc1cc(C)cc(OCC(O)Cn2nc(C)ccc2=O)c1
InChIInChI=1S/C16H20N2O3/c1-11-6-12(2)8-15(7-11)21-10-14(19)9-18-16(20)5-4-13(3)17-18/h4-8,14,19H,9-10H2,1-3H3
InChIKeyCOHIVKBSADDVFA-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-hydroxy-3-(3-methyl-6-oxopyridazin-1-yl)propoxy]phenyl]acetonitrile
CID 110929772
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,2,3-benzotriazin-4-one
CID 51283446
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 109412072
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 75518916
2-[(2S)-2-hydroxy-3-phenoxypropyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97242146
1-(3,5-dimethylphenoxy)-3-(3-phenyl-1,2,4-triazol-1-yl)propan-2-ol
CID 111476974
1-(3,5-dimethylphenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 110888388

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one (CID 110929790) is 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one is Cc1cc(C)cc(OCC(O)Cn2nc(C)ccc2=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one?
The InChIKey is COHIVKBSADDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-12(2)8-15(7-11)21-10-14(19)9-18-16(20)5-4-13(3)17-18/h4-8,14,19H,9-10H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one?
2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 110929790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).