2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one

C18H18N2O3S — CID 110910975

IUPAC2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(O)COc3ccccc3)n2)s1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-17(24-13)16-8-10-18(22)20(19-16)11-14(21)12-23-15-5-3-2-4-6-15/h2-10,14,21H,11-12H2,1H3
InChIKeyHMOSARITENQADP-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 110910975) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID110910975
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(O)COc3ccccc3)n2)s1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-17(24-13)16-8-10-18(22)20(19-16)11-14(21)12-23-15-5-3-2-4-6-15/h2-10,14,21H,11-12H2,1H3
InChIKeyHMOSARITENQADP-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2-hydroxy-3-phenoxypropyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97242146
3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97243364
2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
CID 110929790
2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
CID 110905257
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 111476721
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 60612567
2-[4-[2-hydroxy-3-(3-methyl-6-oxopyridazin-1-yl)propoxy]phenyl]acetonitrile
CID 110929772
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
CID 24651197
(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
(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 7347345

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 110910975) is 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(O)COc3ccccc3)n2)s1.
What is the InChIKey of 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is HMOSARITENQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-7-9-17(24-13)16-8-10-18(22)20(19-16)11-14(21)12-23-15-5-3-2-4-6-15/h2-10,14,21H,11-12H2,1H3.
What are the key properties of 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 110910975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).