3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one

C21H16N2O2 — CID 135514875

IUPAC3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1ccccc1)=C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20(16-10-4-1-5-11-16)19(21(25)17-12-6-2-7-13-17)23-22-18-14-8-3-9-15-18/h1-15,24H/b20-19?,23-22+
InChIKeyPQMKQGAVCMQGRT-YRFCHYIFSA-N
MW328.37 g/mol
LogP5.58
Rot. Bonds5

About 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one

3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one (PubChem CID 135514875) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
PubChem CID135514875
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1ccccc1)=C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20(16-10-4-1-5-11-16)19(21(25)17-12-6-2-7-13-17)23-22-18-14-8-3-9-15-18/h1-15,24H/b20-19?,23-22+
InChIKeyPQMKQGAVCMQGRT-YRFCHYIFSA-N
XLogP5.58
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.58
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

(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
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 136697362
3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
CID 135485256
N-(4,6-dimethylpyrimidin-2-yl)-4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135418668
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
CID 135429771
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-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one?
The IUPAC name of 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one (CID 135514875) is 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one?
The canonical SMILES for 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one is O=C(C(/N=N/c1ccccc1)=C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one?
The InChIKey is PQMKQGAVCMQGRT-YRFCHYIFSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20(16-10-4-1-5-11-16)19(21(25)17-12-6-2-7-13-17)23-22-18-14-8-3-9-15-18/h1-15,24H/b20-19?,23-22+.
What are the key properties of 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one?
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one has a molecular weight of 328.37 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one is sourced from PubChem (CID 135514875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).