5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

C27H24N2O3 — CID 15541843

IUPAC5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(C/C=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-23-14-10-21(11-15-23)25-19-26(30)29(18-6-9-20-7-4-3-5-8-20)28-27(25)22-12-16-24(32-2)17-13-22/h3-17,19H,18H2,1-2H3/b9-6+
InChIKeyBWSRHEZTRRQJFY-RMKNXTFCSA-N
MW424.50 g/mol
LogP5.31
Rot. Bonds7

About 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one (PubChem CID 15541843) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
PubChem CID15541843
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(C/C=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-23-14-10-21(11-15-23)25-19-26(30)29(18-6-9-20-7-4-3-5-8-20)28-27(25)22-12-16-24(32-2)17-13-22/h3-17,19H,18H2,1-2H3/b9-6+
InChIKeyBWSRHEZTRRQJFY-RMKNXTFCSA-N
XLogP5.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one (CID 15541843) is 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one is COc1ccc(-c2cc(=O)n(C/C=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one?
The InChIKey is BWSRHEZTRRQJFY-RMKNXTFCSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-23-14-10-21(11-15-23)25-19-26(30)29(18-6-9-20-7-4-3-5-8-20)28-27(25)22-12-16-24(32-2)17-13-22/h3-17,19H,18H2,1-2H3/b9-6+.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one?
5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one has a molecular weight of 424.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 15541843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).