1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one

C19H17FN2O3 — CID 67566671

IUPAC1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one
SMILESCOc1cn(-c2ccc(OCc3ccccc3)cc2F)nc(C)c1=O
InChIInChI=1S/C19H17FN2O3/c1-13-19(23)18(24-2)11-22(21-13)17-9-8-15(10-16(17)20)25-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyBXUFISNAKOAULJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one

1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one (PubChem CID 67566671) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one
PubChem CID67566671
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one
SMILESCOc1cn(-c2ccc(OCc3ccccc3)cc2F)nc(C)c1=O
InChIInChI=1S/C19H17FN2O3/c1-13-19(23)18(24-2)11-22(21-13)17-9-8-15(10-16(17)20)25-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyBXUFISNAKOAULJ-UHFFFAOYSA-N
XLogP3.27
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one?
The IUPAC name of 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one (CID 67566671) is 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one.
What is the SMILES notation for 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one?
The canonical SMILES for 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one is COc1cn(-c2ccc(OCc3ccccc3)cc2F)nc(C)c1=O.
What is the InChIKey of 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one?
The InChIKey is BXUFISNAKOAULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13-19(23)18(24-2)11-22(21-13)17-9-8-15(10-16(17)20)25-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one?
1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one has a molecular weight of 340.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-3-methylpyridazin-4-one is sourced from PubChem (CID 67566671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).