3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one

C18H15FN2O3 — CID 18369367

IUPAC3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]nc2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H15FN2O3/c1-23-13-6-3-11(4-7-13)14-10-17(22)20-21-18(14)12-5-8-16(24-2)15(19)9-12/h3-10H,1-2H3,(H,20,22)
InChIKeyWFLXWJDDIFYPSG-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.26
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one

3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 18369367) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID18369367
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]nc2-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H15FN2O3/c1-23-13-6-3-11(4-7-13)14-10-17(22)20-21-18(14)12-5-8-16(24-2)15(19)9-12/h3-10H,1-2H3,(H,20,22)
InChIKeyWFLXWJDDIFYPSG-UHFFFAOYSA-N
XLogP3.26
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
1-(3-fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazole
CID 141477181
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-[5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 53388369
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 163550871
4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
CID 22135515
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one (CID 18369367) is 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2cc(=O)[nH]nc2-c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is WFLXWJDDIFYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-13-6-3-11(4-7-13)14-10-17(22)20-21-18(14)12-5-8-16(24-2)15(19)9-12/h3-10H,1-2H3,(H,20,22).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one?
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 326.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 18369367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).