3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C17H16N2O2 — CID 141093047

IUPAC3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3)cc2)=NN1
InChIInChI=1S/C17H16N2O2/c20-17-11-10-16(18-19-17)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyRYZDAMBUQPQDFD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 141093047) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID141093047
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3)cc2)=NN1
InChIInChI=1S/C17H16N2O2/c20-17-11-10-16(18-19-17)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyRYZDAMBUQPQDFD-UHFFFAOYSA-N
XLogP2.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chloroethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 70044554
3-[4-(2-aminoethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14441866
4-(4-phenylmethoxyphenyl)-2,5-dihydro-1H-imidazole
CID 57130327
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl (Z)-3-aminobut-2-enoate
CID 70049071
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-(4-phenylmethoxyphenyl)-2,3-dihydropyridine
CID 172710264
4-methyl-3-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 54591955
2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
CID 66879244
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
CID 67894059
2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168796540

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 141093047) is 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(OCc3ccccc3)cc2)=NN1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RYZDAMBUQPQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17-11-10-16(18-19-17)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 280.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 141093047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).