3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one

C20H17ClN2O3 — CID 10926721

IUPAC3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
SMILESCc1cc(C(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)ccc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-13-9-15(5-7-18(13)21)19(24)12-26-17-4-2-3-14(11-17)10-16-6-8-20(25)23-22-16/h2-9,11H,10,12H2,1H3,(H,23,25)
InChIKeyDULAPBFZDZBIFZ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.58
Rot. Bonds6

About 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one

3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one (PubChem CID 10926721) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
PubChem CID10926721
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
SMILESCc1cc(C(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)ccc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-13-9-15(5-7-18(13)21)19(24)12-26-17-4-2-3-14(11-17)10-16-6-8-20(25)23-22-16/h2-9,11H,10,12H2,1H3,(H,23,25)
InChIKeyDULAPBFZDZBIFZ-UHFFFAOYSA-N
XLogP3.58
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 11728835
N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
CID 10959835
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
CID 159665566
3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
CID 18440040

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one (CID 10926721) is 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one is Cc1cc(C(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)ccc1Cl.
What is the InChIKey of 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The InChIKey is DULAPBFZDZBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-9-15(5-7-18(13)21)19(24)12-26-17-4-2-3-14(11-17)10-16-6-8-20(25)23-22-16/h2-9,11H,10,12H2,1H3,(H,23,25).
What are the key properties of 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one has a molecular weight of 368.82 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 10926721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).