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

C17H14N2O3 — CID 54694030

IUPAC5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one
SMILESO=c1c(OCc2ccccc2)c(O)cnn1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c20-15-11-18-19(14-9-5-2-6-10-14)17(21)16(15)22-12-13-7-3-1-4-8-13/h1-11,20H,12H2
InChIKeyASKDGWBKKRFJAK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.52
Rot. Bonds4

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

5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one (PubChem CID 54694030) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one
PubChem CID54694030
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one
SMILESO=c1c(OCc2ccccc2)c(O)cnn1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c20-15-11-18-19(14-9-5-2-6-10-14)17(21)16(15)22-12-13-7-3-1-4-8-13/h1-11,20H,12H2
InChIKeyASKDGWBKKRFJAK-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one?
The IUPAC name of 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one (CID 54694030) is 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one is O=c1c(OCc2ccccc2)c(O)cnn1-c1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one?
The InChIKey is ASKDGWBKKRFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-11-18-19(14-9-5-2-6-10-14)17(21)16(15)22-12-13-7-3-1-4-8-13/h1-11,20H,12H2.
What are the key properties of 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one?
5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one has a molecular weight of 294.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-4-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 54694030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).