3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one

C15H9FN2O3 — CID 156613214

IUPAC3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+
InChIKeyLTDVCUYSRXZXOO-ISLYRVAYSA-N
MW284.25 g/mol
LogP4.05
Rot. Bonds2

About 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one

3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one (PubChem CID 156613214) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one
PubChem CID156613214
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+
InChIKeyLTDVCUYSRXZXOO-ISLYRVAYSA-N
XLogP4.05
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-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

3-[1-(3-Fluoro-4-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485045
3-[1-(5-Fluoro-2-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485046
3-[1-(2-Fluoro-5-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485047
3-(Anilinomethylene)-2,4-chromanedione
CID 135405750
6-azido-3-(6-azido-4-hydroxy-2-oxo-2H-3-chromenylmethyl)-4-hydroxy-2H-2-chromenone
CID 54710283
6-amino-4-hydroxy-2H-chromen-2-one
CID 54690216
3-Amino-4-[(4-fluorophenyl)amino]chromen-2-one
CID 777300
(Z)-3-(((4-fluorophenyl)amino)methylene)chroman-2,4-dione
CID 135437457
(3Z)-3-[(2-chloro-3-fluoro-phenyl)hydrazono]-6-phenyl-chromane-2,4-dione
CID 136025854
(3Z)-3-(m-tolylhydrazono)-6-phenyl-chromane-2,4-dione
CID 136026145
(2E)-2-(phenylhydrazono)benzo[f]chromene-1,3-dione
CID 136068694
(3Z)-3-[(4-fluorophenyl)hydrazono]-6-phenyl-chromane-2,4-dione
CID 136099275

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one (CID 156613214) is 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one is O=c1oc2ccccc2c(O)c1/N=N/c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one?
The InChIKey is LTDVCUYSRXZXOO-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)17-18-13-14(19)11-3-1-2-4-12(11)21-15(13)20/h1-8,19H/b18-17+.
What are the key properties of 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one?
3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one has a molecular weight of 284.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)diazenyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 156613214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).