7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one

C17H14N2O3 — CID 135758956

IUPAC7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)ccc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C17H14N2O3/c1-10-3-5-12(6-4-10)18-19-16-14(20)8-7-13-11(2)9-15(21)22-17(13)16/h3-9,20H,1-2H3/b19-18+
InChIKeyHACFNGXUQOWPJE-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.53
Rot. Bonds2

About 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one

7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one (PubChem CID 135758956) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
PubChem CID135758956
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)ccc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C17H14N2O3/c1-10-3-5-12(6-4-10)18-19-16-14(20)8-7-13-11(2)9-15(21)22-17(13)16/h3-9,20H,1-2H3/b19-18+
InChIKeyHACFNGXUQOWPJE-VHEBQXMUSA-N
XLogP4.53
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one (CID 135758956) is 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one is Cc1ccc(/N=N/c2c(O)ccc3c(C)cc(=O)oc23)cc1.
What is the InChIKey of 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The InChIKey is HACFNGXUQOWPJE-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-3-5-12(6-4-10)18-19-16-14(20)8-7-13-11(2)9-15(21)22-17(13)16/h3-9,20H,1-2H3/b19-18+.
What are the key properties of 7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one has a molecular weight of 294.31 g/mol, XLogP of 4.53, 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-8-[(4-methylphenyl)diazenyl]chromen-2-one is sourced from PubChem (CID 135758956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).