4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one

C17H13BrN2O2 — CID 46887067

IUPAC4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13BrN2O2/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyCCDWOIBKFPNCRK-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one

4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one (PubChem CID 46887067) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one
PubChem CID46887067
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13BrN2O2/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyCCDWOIBKFPNCRK-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one (CID 46887067) is 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one is O=c1c(Br)c(OCc2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one?
The InChIKey is CCDWOIBKFPNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one?
4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one has a molecular weight of 357.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-phenyl-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 46887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).