4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one

C17H20ClFN2O3 — CID 73292914

IUPAC4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O
InChIInChI=1S/C17H20ClFN2O3/c1-12(2)21-17(22)16(18)15(9-20-21)24-11-14-5-3-13(4-6-14)10-23-8-7-19/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyYWGRTJMVDXIAFR-UHFFFAOYSA-N
MW354.81 g/mol
LogP3.54
Rot. Bonds8

About 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one

4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one (PubChem CID 73292914) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one
PubChem CID73292914
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O
InChIInChI=1S/C17H20ClFN2O3/c1-12(2)21-17(22)16(18)15(9-20-21)24-11-14-5-3-13(4-6-14)10-23-8-7-19/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyYWGRTJMVDXIAFR-UHFFFAOYSA-N
XLogP3.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one (CID 73292914) is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one?
The InChIKey is YWGRTJMVDXIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c1-12(2)21-17(22)16(18)15(9-20-21)24-11-14-5-3-13(4-6-14)10-23-8-7-19/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one?
4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one has a molecular weight of 354.81 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 73292914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).