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

C17H11Cl3N2O2 — CID 18440207

IUPAC3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)c(Oc3ccc(Cl)cc3Cl)c2)n[nH]1
InChIInChI=1S/C17H11Cl3N2O2/c18-11-2-5-15(14(20)9-11)24-16-8-10(1-4-13(16)19)7-12-3-6-17(23)22-21-12/h1-6,8-9H,7H2,(H,22,23)
InChIKeyYJZQAFLGAOUWMK-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.11
Rot. Bonds4

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

3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one (PubChem CID 18440207) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
PubChem CID18440207
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)c(Oc3ccc(Cl)cc3Cl)c2)n[nH]1
InChIInChI=1S/C17H11Cl3N2O2/c18-11-2-5-15(14(20)9-11)24-16-8-10(1-4-13(16)19)7-12-3-6-17(23)22-21-12/h1-6,8-9H,7H2,(H,22,23)
InChIKeyYJZQAFLGAOUWMK-UHFFFAOYSA-N
XLogP5.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-3-methylbenzonitrile
CID 18440063
3-[[4-chloro-3-(2-nitrophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440217
3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
CID 18440040
3-[(4-chloro-3-pentan-3-yloxyphenyl)methyl]-1H-pyridazin-6-one
CID 18440206
3-[(3-butoxy-4-chlorophenyl)methyl]-1H-pyridazin-6-one
CID 18440182
6-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]pyridine-2-carbonitrile
CID 18440104
3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 11728835
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
3-(2,4-dichlorophenyl)-1H-pyridazin-6-one
CID 43583824
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
3-[[3-(3-chloro-5-methylphenoxy)-5-ethylphenyl]methyl]-1H-pyridazin-6-one
CID 142944690
3-[2-bromo-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzonitrile
CID 18439986

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one (CID 18440207) is 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one is O=c1ccc(Cc2ccc(Cl)c(Oc3ccc(Cl)cc3Cl)c2)n[nH]1.
What is the InChIKey of 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one?
The InChIKey is YJZQAFLGAOUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c18-11-2-5-15(14(20)9-11)24-16-8-10(1-4-13(16)19)7-12-3-6-17(23)22-21-12/h1-6,8-9H,7H2,(H,22,23).
What are the key properties of 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one?
3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one has a molecular weight of 381.65 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 18440207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).