6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one

C19H16N2O2 — CID 155531758

IUPAC6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O2/c1-23-18-10-6-5-7-15(18)11-12-16-13-14-19(22)21(20-16)17-8-3-2-4-9-17/h2-14H,1H3/b12-11+
InChIKeyBNBRVZAGWCMHBD-VAWYXSNFSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds4

About 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one

6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one (PubChem CID 155531758) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one
PubChem CID155531758
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O2/c1-23-18-10-6-5-7-15(18)11-12-16-13-14-19(22)21(20-16)17-8-3-2-4-9-17/h2-14H,1H3/b12-11+
InChIKeyBNBRVZAGWCMHBD-VAWYXSNFSA-N
XLogP3.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one (CID 155531758) is 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one is COc1ccccc1/C=C/c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one?
The InChIKey is BNBRVZAGWCMHBD-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-18-10-6-5-7-15(18)11-12-16-13-14-19(22)21(20-16)17-8-3-2-4-9-17/h2-14H,1H3/b12-11+.
What are the key properties of 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one?
6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one has a molecular weight of 304.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 155531758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).