2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one

C15H11ClN2O2 — CID 135463888

IUPAC2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
SMILESO=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClN2O2/c16-12-6-8-13(9-7-12)17-18-14(10-19)15(20)11-4-2-1-3-5-11/h1-10,19H/b14-10?,18-17+
InChIKeyJNNKSIFMBYWIJA-OBKAZCLXSA-N
MW286.72 g/mol
LogP4.71
Rot. Bonds4

About 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one

2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one (PubChem CID 135463888) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
PubChem CID135463888
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
SMILESO=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClN2O2/c16-12-6-8-13(9-7-12)17-18-14(10-19)15(20)11-4-2-1-3-5-11/h1-10,19H/b14-10?,18-17+
InChIKeyJNNKSIFMBYWIJA-OBKAZCLXSA-N
XLogP4.71
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', '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'}

Analyze 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
CID 135713788
(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
CID 135548536
3-hydroxy-2-phenyldiazenyl-1-pyridin-4-ylprop-2-en-1-one
CID 135414768
2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
CID 135481966
(E)-3-hydroxy-1-(4-methoxyphenyl)-2-phenyldiazenylprop-2-en-1-one
CID 135550150
(Z)-1-(4-bromophenyl)-2-[(3,5-dichlorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
CID 135526921
3-hydroxy-2-nitroso-1-phenylprop-2-en-1-one
CID 151303538
(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
CID 11817774
methyl 2-[(1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 136870839
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one (CID 135463888) is 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one is O=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one?
The InChIKey is JNNKSIFMBYWIJA-OBKAZCLXSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-6-8-13(9-7-12)17-18-14(10-19)15(20)11-4-2-1-3-5-11/h1-10,19H/b14-10?,18-17+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one?
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one has a molecular weight of 286.72 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one is sourced from PubChem (CID 135463888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).