3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C15H18ClFN2O3 — CID 137377974

IUPAC3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2C)c(F)c(Cl)c1OCC(C)O
InChIInChI=1S/C15H18ClFN2O3/c1-7-5-11(21)18-19-14(7)10-4-8(2)15(12(16)13(10)17)22-6-9(3)20/h4,7,9,20H,5-6H2,1-3H3,(H,18,21)
InChIKeyYZFXENGEYMVXSI-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.41
Rot. Bonds4

About 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137377974) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137377974
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2C)c(F)c(Cl)c1OCC(C)O
InChIInChI=1S/C15H18ClFN2O3/c1-7-5-11(21)18-19-14(7)10-4-8(2)15(12(16)13(10)17)22-6-9(3)20/h4,7,9,20H,5-6H2,1-3H3,(H,18,21)
InChIKeyYZFXENGEYMVXSI-UHFFFAOYSA-N
XLogP2.41
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 137377974) is 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is Cc1cc(C2=NNC(=O)CC2C)c(F)c(Cl)c1OCC(C)O.
What is the InChIKey of 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YZFXENGEYMVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c1-7-5-11(21)18-19-14(7)10-4-8(2)15(12(16)13(10)17)22-6-9(3)20/h4,7,9,20H,5-6H2,1-3H3,(H,18,21).
What are the key properties of 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 328.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-fluoro-4-(2-hydroxypropoxy)-5-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137377974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).