4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one

C19H12Cl2N2O2 — CID 52912768

IUPAC4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-14-7-8-15(16(21)11-14)17(24)9-6-13-10-18(25)22-23-19(13)12-4-2-1-3-5-12/h1-11H,(H,22,25)/b9-6+
InChIKeyUBMIZUVTYHYEPH-RMKNXTFCSA-N
MW371.22 g/mol
LogP4.64
Rot. Bonds4

About 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one

4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 52912768) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID52912768
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-14-7-8-15(16(21)11-14)17(24)9-6-13-10-18(25)22-23-19(13)12-4-2-1-3-5-12/h1-11H,(H,22,25)/b9-6+
InChIKeyUBMIZUVTYHYEPH-RMKNXTFCSA-N
XLogP4.64
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
CID 102397728
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
1-(2,4-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 4555105
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
CID 135057764
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
4-[3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5227575
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19562947
(E)-1-(2,4-dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 46859145
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one (CID 52912768) is 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one is O=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is UBMIZUVTYHYEPH-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-14-7-8-15(16(21)11-14)17(24)9-6-13-10-18(25)22-23-19(13)12-4-2-1-3-5-12/h1-11H,(H,22,25)/b9-6+.
What are the key properties of 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 371.22 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 52912768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).