5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one

C18H16N2O3 — CID 123582637

IUPAC5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c(O)cc2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-15-9-7-13(8-10-15)12-20-17(22)11-16(21)18(19-20)14-5-3-2-4-6-14/h2-11,21H,12H2,1H3
InChIKeyLEWTYPKBWKJJJF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds4

About 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one

5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 123582637) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID123582637
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c(O)cc2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-15-9-7-13(8-10-15)12-20-17(22)11-16(21)18(19-20)14-5-3-2-4-6-14/h2-11,21H,12H2,1H3
InChIKeyLEWTYPKBWKJJJF-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
5,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 18369357
[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
CID 90156932
5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 18369387
5-hydroxy-2-methyl-6-phenylpyridazin-3-one
CID 54705880
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
CID 140745450
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-[5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-4-yl]ethanone
CID 54383318
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one (CID 123582637) is 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one is COc1ccc(Cn2nc(-c3ccccc3)c(O)cc2=O)cc1.
What is the InChIKey of 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is LEWTYPKBWKJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-9-7-13(8-10-15)12-20-17(22)11-16(21)18(19-20)14-5-3-2-4-6-14/h2-11,21H,12H2,1H3.
What are the key properties of 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one?
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 123582637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).