2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one

C20H18N2O3 — CID 51100618

IUPAC2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C)cc1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H18N2O3/c1-14-8-10-19(25-2)16(12-14)18(23)13-22-20(24)11-9-17(21-22)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyMLXBZIKQMVIHKM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 51100618) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID51100618
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C)cc1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H18N2O3/c1-14-8-10-19(25-2)16(12-14)18(23)13-22-20(24)11-9-17(21-22)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyMLXBZIKQMVIHKM-UHFFFAOYSA-N
XLogP3.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one (CID 51100618) is 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one is COc1ccc(C)cc1C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is MLXBZIKQMVIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-8-10-19(25-2)16(12-14)18(23)13-22-20(24)11-9-17(21-22)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 334.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 51100618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).