3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one

C21H16N2O2 — CID 139648757

IUPAC3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cc(O)ccc1/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-19-12-13-20(23-22-18-9-5-2-6-10-18)17(15-19)11-14-21(25)16-7-3-1-4-8-16/h1-15,24H/b14-11?,23-22+
InChIKeyCFZFWYIEKADEQV-JOKHWODLSA-N
MW328.37 g/mol
LogP5.70
Rot. Bonds5

About 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one

3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 139648757) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one
PubChem CID139648757
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cc(O)ccc1/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-19-12-13-20(23-22-18-9-5-2-6-10-18)17(15-19)11-14-21(25)16-7-3-1-4-8-16/h1-15,24H/b14-11?,23-22+
InChIKeyCFZFWYIEKADEQV-JOKHWODLSA-N
XLogP5.70
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 ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-hydroxy-2-phenyldiazenylphenyl)-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

3-(2-amino-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 174590880
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one (CID 139648757) is 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one is O=C(C=Cc1cc(O)ccc1/N=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is CFZFWYIEKADEQV-JOKHWODLSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-19-12-13-20(23-22-18-9-5-2-6-10-18)17(15-19)11-14-21(25)16-7-3-1-4-8-16/h1-15,24H/b14-11?,23-22+.
What are the key properties of 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one?
3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 328.37 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2-phenyldiazenylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 139648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).