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

C19H14Cl2N2O3 — CID 11728835

IUPAC3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
SMILESO=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3/c20-13-4-6-16(17(21)10-13)18(24)11-26-15-3-1-2-12(9-15)8-14-5-7-19(25)23-22-14/h1-7,9-10H,8,11H2,(H,23,25)
InChIKeyDEZOLAWAJYVQEV-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.93
Rot. Bonds6

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

3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one (PubChem CID 11728835) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
PubChem CID11728835
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
SMILESO=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3/c20-13-4-6-16(17(21)10-13)18(24)11-26-15-3-1-2-12(9-15)8-14-5-7-19(25)23-22-14/h1-7,9-10H,8,11H2,(H,23,25)
InChIKeyDEZOLAWAJYVQEV-UHFFFAOYSA-N
XLogP3.93
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 10926721
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 82108347
N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
CID 10959835
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
methyl 3-cyano-5-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzoate
CID 18440055

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one (CID 11728835) is 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one is O=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
The InChIKey is DEZOLAWAJYVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-13-4-6-16(17(21)10-13)18(24)11-26-15-3-1-2-12(9-15)8-14-5-7-19(25)23-22-14/h1-7,9-10H,8,11H2,(H,23,25).
What are the key properties of 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one?
3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one has a molecular weight of 389.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11728835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).