6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one

C16H11FN2O4 — CID 155908541

IUPAC6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(/N=N/c3ccc(O)cc3F)cc12
InChIInChI=1S/C16H11FN2O4/c1-8-4-16(22)23-15-7-14(21)13(6-10(8)15)19-18-12-3-2-9(20)5-11(12)17/h2-7,20-21H,1H3/b19-18+
InChIKeyMTCQUWNGYDIJRO-VHEBQXMUSA-N
MW314.27 g/mol
LogP4.07
Rot. Bonds2

About 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one

6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one (PubChem CID 155908541) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one
PubChem CID155908541
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(/N=N/c3ccc(O)cc3F)cc12
InChIInChI=1S/C16H11FN2O4/c1-8-4-16(22)23-15-7-14(21)13(6-10(8)15)19-18-12-3-2-9(20)5-11(12)17/h2-7,20-21H,1H3/b19-18+
InChIKeyMTCQUWNGYDIJRO-VHEBQXMUSA-N
XLogP4.07
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

8-Amino-7-hydroxy-4-methyl-chromen-2-one
CID 5310473
7-hydroxy-4-methyl-6-[(E)-phenyldiazenyl]-2H-chromen-2-one
CID 135436035
4-Methyl-7-(4-nitro-2-(trifluoromethyl)phenoxy)-2H-chromen-2-one
CID 1323001
7-Hydroxy-4-methyl-6-nitrocoumarin
CID 5385113
7-hydroxy-4,8-dimethyl-6-nitro-2H-chromen-2-one
CID 5291935
6-Nitro-7-hydroxycoumarin
CID 10013236
6-azido-3-(6-azido-4-hydroxy-2-oxo-2H-3-chromenylmethyl)-4-hydroxy-2H-2-chromenone
CID 54710283
2-Hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid
CID 164627530
6-Amino-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
CID 13169559
7-Hydroxy-4-methyl-3,6-dinitrochromen-2-one
CID 10659374
5-[(7-Hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide
CID 162647216
3-[(7-Hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide
CID 162674365

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one (CID 155908541) is 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O)c(/N=N/c3ccc(O)cc3F)cc12.
What is the InChIKey of 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one?
The InChIKey is MTCQUWNGYDIJRO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11FN2O4/c1-8-4-16(22)23-15-7-14(21)13(6-10(8)15)19-18-12-3-2-9(20)5-11(12)17/h2-7,20-21H,1H3/b19-18+.
What are the key properties of 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one?
6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one has a molecular weight of 314.27 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4-hydroxyphenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 155908541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).