(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one

C27H20N2O3 — CID 135643063

IUPAC(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1ccc(Oc2ccccc2)cc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O3/c30-26(20-10-4-1-5-11-20)25(27(31)21-12-6-2-7-13-21)29-28-22-16-18-24(19-17-22)32-23-14-8-3-9-15-23/h1-19,30H/b26-25+,29-28+
InChIKeyWROJSPSKYHTQFU-NKOIKLBZSA-N
MW420.47 g/mol
LogP7.37
Rot. Bonds7

About (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one

(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one (PubChem CID 135643063) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
PubChem CID135643063
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/N=N/c1ccc(Oc2ccccc2)cc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O3/c30-26(20-10-4-1-5-11-20)25(27(31)21-12-6-2-7-13-21)29-28-22-16-18-24(19-17-22)32-23-14-8-3-9-15-23/h1-19,30H/b26-25+,29-28+
InChIKeyWROJSPSKYHTQFU-NKOIKLBZSA-N
XLogP7.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
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
(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
CID 135548536
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-phenoxybenzoic acid;hydrochloride
CID 70385625
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
methyl 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]-2-oxobut-3-enoate
CID 152771285

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one (CID 135643063) is (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one is O=C(C(/N=N/c1ccc(Oc2ccccc2)cc1)=C(\O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one?
The InChIKey is WROJSPSKYHTQFU-NKOIKLBZSA-N. The full InChI is InChI=1S/C27H20N2O3/c30-26(20-10-4-1-5-11-20)25(27(31)21-12-6-2-7-13-21)29-28-22-16-18-24(19-17-22)32-23-14-8-3-9-15-23/h1-19,30H/b26-25+,29-28+.
What are the key properties of (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one?
(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one has a molecular weight of 420.47 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 135643063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).