4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol

C17H22ClFN2O3 — CID 146619261

IUPAC4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol
SMILESCC(C)N1N=CC(OCc2ccc(COCCF)cc2)=C(Cl)C1O
InChIInChI=1S/C17H22ClFN2O3/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/h3-6,9,12,17,22H,7-8,10-11H2,1-2H3
InChIKeyDBBCTTJGOUHUHA-UHFFFAOYSA-N
MW356.83 g/mol
LogP3.17
Rot. Bonds8

About 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol

4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol (PubChem CID 146619261) has the molecular formula C17H22ClFN2O3 and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol.

Molecular Properties

Compound Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol
PubChem CID146619261
Molecular FormulaC17H22ClFN2O3
Molecular Weight356.83 g/mol
Exact Mass356.13
IUPAC Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol
SMILESCC(C)N1N=CC(OCc2ccc(COCCF)cc2)=C(Cl)C1O
InChIInChI=1S/C17H22ClFN2O3/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/h3-6,9,12,17,22H,7-8,10-11H2,1-2H3
InChIKeyDBBCTTJGOUHUHA-UHFFFAOYSA-N
XLogP3.17
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-4-propan-2-ylpyridazin-3-one
CID 90062694
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one
CID 90062686
2-tert-butyl-4-chloro-5-[[4-[4-(3-fluoropropoxy)phenyl]phenyl]methoxy]-3H-pyridazine
CID 154603926
1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
CID 13367652
2-tert-butyl-4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-1,4-dihydropyridazin-3-one
CID 118223526
N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine
CID 155197803
1-dodecoxy-4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 24749146
3-[4-(2-(18F)fluoroethoxymethyl)phenyl]-1,2,4,5-tetrazine
CID 165154581
2-tert-butyl-4-chloro-5-[[4-(2-hydroxyethoxymethyl)phenyl]methoxy]pyridazin-3-one
CID 59678647
2-tert-butyl-4-chloro-5-[[4-(4-fluorobutan-2-yloxy)phenyl]methoxy]pyridazin-3-one
CID 24864644
2-tert-butyl-4-chloro-5-[[4-[2-(3-fluoropropoxy)ethoxymethyl]phenyl]methoxy]pyridazin-3-one
CID 90062690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol?
The IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol (CID 146619261) is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol.
What is the SMILES notation for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol?
The canonical SMILES for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol is CC(C)N1N=CC(OCc2ccc(COCCF)cc2)=C(Cl)C1O.
What is the InChIKey of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol?
The InChIKey is DBBCTTJGOUHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3/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/h3-6,9,12,17,22H,7-8,10-11H2,1-2H3.
What are the key properties of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol?
4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol has a molecular weight of 356.83 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 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-yl-3H-pyridazin-3-ol is sourced from PubChem (CID 146619261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).