(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one

C21H14Cl2N2O2 — CID 136697362

IUPAC(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1c(Cl)cccc1Cl)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O2/c22-16-12-7-13-17(23)18(16)24-25-19(20(26)14-8-3-1-4-9-14)21(27)15-10-5-2-6-11-15/h1-13,26H/b20-19-,25-24+
InChIKeyIAGOJGSZPURCDK-AEUWTHGRSA-N
MW397.26 g/mol
LogP6.89
Rot. Bonds5

About (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one

(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one (PubChem CID 136697362) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
PubChem CID136697362
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1c(Cl)cccc1Cl)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O2/c22-16-12-7-13-17(23)18(16)24-25-19(20(26)14-8-3-1-4-9-14)21(27)15-10-5-2-6-11-15/h1-13,26H/b20-19-,25-24+
InChIKeyIAGOJGSZPURCDK-AEUWTHGRSA-N
XLogP6.89
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
CID 135485256
(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
CID 135643063
4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135841430
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
CID 135767018
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one (CID 136697362) is (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one is O=C(C(/N=N/c1c(Cl)cccc1Cl)=C(/O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is IAGOJGSZPURCDK-AEUWTHGRSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-16-12-7-13-17(23)18(16)24-25-19(20(26)14-8-3-1-4-9-14)21(27)15-10-5-2-6-11-15/h1-13,26H/b20-19-,25-24+.
What are the key properties of (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one?
(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 397.26 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 136697362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).