3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one

C17H15BrN2O2 — CID 20569995

IUPAC3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(c2ccc(Oc3ccc(Br)cc3)cc2)=NNC1=O
InChIInChI=1S/C17H15BrN2O2/c1-11-10-16(19-20-17(11)21)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyANYRBILOISHGHH-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.10
Rot. Bonds3

About 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 20569995) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID20569995
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(c2ccc(Oc3ccc(Br)cc3)cc2)=NNC1=O
InChIInChI=1S/C17H15BrN2O2/c1-11-10-16(19-20-17(11)21)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyANYRBILOISHGHH-UHFFFAOYSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dihydro-6-(4-propoxyphenyl)-
CID 217732
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
6-(4-butoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 12004848
6-(4-Methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689109
trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5409662
6-[4-(3-Methylbutoxy)phenyl]-4,5-dihydropyridazin-3-ol
CID 919451
4-Bromo-5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 269257
6-(4-ethoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 225254
[(Z)-1-[4-(4-bromophenoxy)phenyl]propylideneamino]urea
CID 44351928
[(Z)-1-[4-(4-bromophenoxy)phenyl]ethylideneamino]urea
CID 44351929
3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 44576793
3-(3-bromo-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
CID 71460715

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 20569995) is 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(c2ccc(Oc3ccc(Br)cc3)cc2)=NNC1=O.
What is the InChIKey of 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ANYRBILOISHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-10-16(19-20-17(11)21)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 359.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenoxy)phenyl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 20569995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).