3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one

C17H14N2O2 — CID 23764323

IUPAC3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one
SMILESO=c1cc(OCc2ccccc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N2O2/c20-16-11-15(21-12-13-7-3-1-4-8-13)17(19-18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,20)
InChIKeySBJZPSMSLMXQHG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.02
Rot. Bonds4

About 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one

3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one (PubChem CID 23764323) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one
PubChem CID23764323
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one
SMILESO=c1cc(OCc2ccccc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N2O2/c20-16-11-15(21-12-13-7-3-1-4-8-13)17(19-18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,20)
InChIKeySBJZPSMSLMXQHG-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one (CID 23764323) is 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one is O=c1cc(OCc2ccccc2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one?
The InChIKey is SBJZPSMSLMXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-11-15(21-12-13-7-3-1-4-8-13)17(19-18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,20).
What are the key properties of 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one?
3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one has a molecular weight of 278.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-phenylmethoxy-1H-pyridazin-6-one is sourced from PubChem (CID 23764323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).