4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one

C17H16N2O2 — CID 137220063

IUPAC4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
SMILESCC(=O)C(/N=N/c1ccccc1)=C(O)Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)17(19-18-15-10-6-3-7-11-15)16(21)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3/b17-16?,19-18+
InChIKeyQGWXRBQJWIJUQI-FPLXBDGTSA-N
MW280.33 g/mol
LogP4.37
Rot. Bonds5

About 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one

4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one (PubChem CID 137220063) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
PubChem CID137220063
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
SMILESCC(=O)C(/N=N/c1ccccc1)=C(O)Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)17(19-18-15-10-6-3-7-11-15)16(21)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3/b17-16?,19-18+
InChIKeyQGWXRBQJWIJUQI-FPLXBDGTSA-N
XLogP4.37
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.37
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'}

Analyze 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-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)-3-[[4-(aminomethyl)phenyl]diazenyl]-4-hydroxy-5-(2-methoxyphenyl)pent-3-en-2-one
CID 135995150
(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
CID 177384143
methyl (Z)-3-hydroxy-2-phenyldiazenylpent-2-enoate
CID 135448457
benzene;1-phenylpropan-2-one
CID 21430852
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
2-(N-ethyl-C-methylcarbonimidoyl)-3-hydroxy-4-phenylbut-2-enoic acid
CID 173391999
3-[(4-acetylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135496450
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
(Z)-3-[(3-chlorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135868221
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
N-phenyliminobutanamide
CID 123707151
(E)-3-benzylpent-3-en-2-one
CID 10821122

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one?
The IUPAC name of 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one (CID 137220063) is 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one?
The canonical SMILES for 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one is CC(=O)C(/N=N/c1ccccc1)=C(O)Cc1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one?
The InChIKey is QGWXRBQJWIJUQI-FPLXBDGTSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)17(19-18-15-10-6-3-7-11-15)16(21)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3/b17-16?,19-18+.
What are the key properties of 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one?
4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one has a molecular weight of 280.33 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one is sourced from PubChem (CID 137220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).