7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one

C16H12N2O3 — CID 135436035

IUPAC7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(/N=N/c3ccccc3)cc12
InChIInChI=1S/C16H12N2O3/c1-10-7-16(20)21-15-9-14(19)13(8-12(10)15)18-17-11-5-3-2-4-6-11/h2-9,19H,1H3/b18-17+
InChIKeyMTVPSCAZBNJLAQ-ISLYRVAYSA-N
MW280.28 g/mol
LogP4.22
Rot. Bonds2

About 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one

7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one (PubChem CID 135436035) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one
PubChem CID135436035
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(/N=N/c3ccccc3)cc12
InChIInChI=1S/C16H12N2O3/c1-10-7-16(20)21-15-9-14(19)13(8-12(10)15)18-17-11-5-3-2-4-6-11/h2-9,19H,1H3/b18-17+
InChIKeyMTVPSCAZBNJLAQ-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-8-nitrocoumarin
CID 5376327
8-Amino-7-hydroxy-4-methyl-chromen-2-one
CID 5310473
7-Hydroxy-4-methyl-6-nitrocoumarin
CID 5385113
7-[(3-Aminophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 10780206
4-(4-Aminophenyl)-7-hydroxy-8-methylchromen-2-one
CID 145950981
4-(4-Aminophenyl)-7-hydroxychromen-2-one
CID 145956503
7-hydroxy-4,8-dimethyl-6-nitro-2H-chromen-2-one
CID 5291935
6-Nitro-7-hydroxycoumarin
CID 10013236
7-hydroxy-4-((methyl(phenyl)amino)methyl)-2H-chromen-2-one
CID 8689099
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
4-Hydroxy-7-[3-(4-methyl-2-nitrophenoxy)propoxy]-3-nitrochromen-2-one
CID 54686038

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one (CID 135436035) is 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one is Cc1cc(=O)oc2cc(O)c(/N=N/c3ccccc3)cc12.
What is the InChIKey of 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one?
The InChIKey is MTVPSCAZBNJLAQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-7-16(20)21-15-9-14(19)13(8-12(10)15)18-17-11-5-3-2-4-6-11/h2-9,19H,1H3/b18-17+.
What are the key properties of 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one?
7-hydroxy-4-methyl-6-phenyldiazenylchromen-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 7-hydroxy-4-methyl-6-phenyldiazenylchromen-2-one is sourced from PubChem (CID 135436035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).