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

C17H14N2O2 — CID 18759983

IUPAC3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)17-15(11-16(20)18-19-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChIKeyYQNQNYMBGODSPX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.11
Rot. Bonds3

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

3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one (PubChem CID 18759983) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
PubChem CID18759983
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)17-15(11-16(20)18-19-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChIKeyYQNQNYMBGODSPX-UHFFFAOYSA-N
XLogP3.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367
4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
CID 22135515
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 163550871
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 15040788
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one (CID 18759983) is 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one is COc1ccc(-c2n[nH]c(=O)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one?
The InChIKey is YQNQNYMBGODSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)17-15(11-16(20)18-19-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20).
What are the key properties of 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one?
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one has a molecular weight of 278.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 18759983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).