2-phenyl-6-phenylmethoxypyridazin-3-one

C17H14N2O2 — CID 751723

IUPAC2-phenyl-6-phenylmethoxypyridazin-3-one
SMILESO=c1ccc(OCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17-12-11-16(21-13-14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyMQOKKVUQFNBBFW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.81
Rot. Bonds4

About 2-phenyl-6-phenylmethoxypyridazin-3-one

2-phenyl-6-phenylmethoxypyridazin-3-one (PubChem CID 751723) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-phenyl-6-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-phenyl-6-phenylmethoxypyridazin-3-one
PubChem CID751723
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-phenyl-6-phenylmethoxypyridazin-3-one
SMILESO=c1ccc(OCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17-12-11-16(21-13-14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyMQOKKVUQFNBBFW-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-phenyl-6-phenylmethoxypyridazin-3-one (CID 751723) is 2-phenyl-6-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-phenyl-6-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-phenyl-6-phenylmethoxypyridazin-3-one is O=c1ccc(OCc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-phenyl-6-phenylmethoxypyridazin-3-one?
The InChIKey is MQOKKVUQFNBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17-12-11-16(21-13-14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 2-phenyl-6-phenylmethoxypyridazin-3-one?
2-phenyl-6-phenylmethoxypyridazin-3-one has a molecular weight of 278.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 751723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).