6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one

C18H16N2O3 — CID 2176087

IUPAC6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one
SMILESO=c1ccc(OCCOc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-18-12-11-17(19-20(18)15-7-3-1-4-8-15)23-14-13-22-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyHKSIPPDGBXWZQU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.69
Rot. Bonds6

About 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one

6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one (PubChem CID 2176087) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one
PubChem CID2176087
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one
SMILESO=c1ccc(OCCOc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-18-12-11-17(19-20(18)15-7-3-1-4-8-15)23-14-13-22-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyHKSIPPDGBXWZQU-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one?
The IUPAC name of 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one (CID 2176087) is 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one?
The canonical SMILES for 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one is O=c1ccc(OCCOc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one?
The InChIKey is HKSIPPDGBXWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18-12-11-17(19-20(18)15-7-3-1-4-8-15)23-14-13-22-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one?
6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyethoxy)-2-phenylpyridazin-3-one is sourced from PubChem (CID 2176087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).