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

C17H14N2O3 — CID 156613228

IUPAC3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one
SMILESCCc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-11-7-9-12(10-8-11)18-19-15-16(20)13-5-3-4-6-14(13)22-17(15)21/h3-10,20H,2H2,1H3/b19-18+
InChIKeyOFYFGLLLHNWPLF-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.48
Rot. Bonds3

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

3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one (PubChem CID 156613228) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one
PubChem CID156613228
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one
SMILESCCc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-2-11-7-9-12(10-8-11)18-19-15-16(20)13-5-3-4-6-14(13)22-17(15)21/h3-10,20H,2H2,1H3/b19-18+
InChIKeyOFYFGLLLHNWPLF-VHEBQXMUSA-N
XLogP4.48
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.48
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-(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
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
1-(4-ethylphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)urea
CID 54688421
(3Z)-3-(m-tolylhydrazono)-6-phenyl-chromane-2,4-dione
CID 136026145

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one (CID 156613228) is 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one is CCc1ccc(/N=N/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one?
The InChIKey is OFYFGLLLHNWPLF-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-11-7-9-12(10-8-11)18-19-15-16(20)13-5-3-4-6-14(13)22-17(15)21/h3-10,20H,2H2,1H3/b19-18+.
What are the key properties of 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one?
3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one has a molecular weight of 294.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)diazenyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 156613228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).