6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one

C14H16N2O2 — CID 82105402

IUPAC6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(O)c2)ccc1=O
InChIInChI=1S/C14H16N2O2/c1-3-8-16-14(18)7-6-12(15-16)11-5-4-10(2)13(17)9-11/h4-7,9,17H,3,8H2,1-2H3
InChIKeyLXNCFNGNBCJEQI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.33
Rot. Bonds3

About 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one

6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one (PubChem CID 82105402) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
PubChem CID82105402
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(O)c2)ccc1=O
InChIInChI=1S/C14H16N2O2/c1-3-8-16-14(18)7-6-12(15-16)11-5-4-10(2)13(17)9-11/h4-7,9,17H,3,8H2,1-2H3
InChIKeyLXNCFNGNBCJEQI-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105416
6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
CID 82446684
6-methyl-2-propylpyridazin-3-one
CID 12504076
6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105345
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644
3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanethioamide
CID 15571568
6-(3,4-dipropylphenyl)-2-(2-hydroxyethyl)pyridazin-3-one;methylcyclobutane
CID 143897176
3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
CID 7672172
6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one
CID 70961882

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one (CID 82105402) is 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(C)c(O)c2)ccc1=O.
What is the InChIKey of 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one?
The InChIKey is LXNCFNGNBCJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-16-14(18)7-6-12(15-16)11-5-4-10(2)13(17)9-11/h4-7,9,17H,3,8H2,1-2H3.
What are the key properties of 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one?
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one has a molecular weight of 244.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82105402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).