4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one

C16H12N2O3 — CID 135693104

IUPAC4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-10-6-8-11(9-7-10)17-18-14-15(19)12-4-2-3-5-13(12)21-16(14)20/h2-9,19H,1H3/b18-17+
InChIKeyOEGBJIVBWWBIMN-ISLYRVAYSA-N
MW280.28 g/mol
LogP4.22
Rot. Bonds2

About 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one

4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one (PubChem CID 135693104) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one
PubChem CID135693104
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-10-6-8-11(9-7-10)17-18-14-15(19)12-4-2-3-5-13(12)21-16(14)20/h2-9,19H,1H3/b18-17+
InChIKeyOEGBJIVBWWBIMN-ISLYRVAYSA-N
XLogP4.22
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.22
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'}

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Related Compounds

7-hydroxy-4-methyl-6-[(E)-phenyldiazenyl]-2H-chromen-2-one
CID 135436035
3-[1-(4-Isopropyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485021
3-[1-(2,4-Dimethyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485029
3-[1-(3-Fluoro-4-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485045
3-amino-4-(4-toluidino)-2H-chromen-2-one
CID 3124631
(3Z)-3-{[(4-methylphenyl)amino]methylidene}-2H-chromene-2,4(3H)-dione
CID 135454250
(3E)-3-[(2-methoxyanilino)methylidene]chromene-2,4-dione
CID 135464796
4-(4-Aminophenyl)-7-hydroxy-8-methylchromen-2-one
CID 145950981
4-(4-Aminophenyl)-7-hydroxychromen-2-one
CID 145956503
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
N-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N'-(4-methylphenyl)urea
CID 54686352

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one (CID 135693104) is 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one is Cc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one?
The InChIKey is OEGBJIVBWWBIMN-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-6-8-11(9-7-10)17-18-14-15(19)12-4-2-3-5-13(12)21-16(14)20/h2-9,19H,1H3/b18-17+.
What are the key properties of 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one?
4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one has a molecular weight of 280.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-methylphenyl)diazenyl]chromen-2-one is sourced from PubChem (CID 135693104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).