6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one

C17H14N2O4 — CID 135471441

IUPAC6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)c(O)cc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C17H14N2O4/c1-9-3-5-11(6-4-9)18-19-15-16(22)13(20)8-12-10(2)7-14(21)23-17(12)15/h3-8,20,22H,1-2H3/b19-18+
InChIKeyOOBYTHCDLXYRIE-VHEBQXMUSA-N
MW310.31 g/mol
LogP4.24
Rot. Bonds2

About 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one

6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one (PubChem CID 135471441) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
PubChem CID135471441
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
SMILESCc1ccc(/N=N/c2c(O)c(O)cc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C17H14N2O4/c1-9-3-5-11(6-4-9)18-19-15-16(22)13(20)8-12-10(2)7-14(21)23-17(12)15/h3-8,20,22H,1-2H3/b19-18+
InChIKeyOOBYTHCDLXYRIE-VHEBQXMUSA-N
XLogP4.24
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
CID 136671063
7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
CID 135799900
bis(4-methylphenyl)diazene
CID 10389
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
CID 159049808
8-[[4-(diethylamino)phenyl]diazenyl]-9-hydroxy-4-methylfuro[2,3-h]chromen-2-one
CID 4573532
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one
CID 137243500
[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
CID 90778654
2-(7-hydroxy-4-methyl-2-oxochromen-8-yl)-2-oxoacetic acid
CID 175599461

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The IUPAC name of 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one (CID 135471441) is 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one.
What is the SMILES notation for 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The canonical SMILES for 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one is Cc1ccc(/N=N/c2c(O)c(O)cc3c(C)cc(=O)oc23)cc1.
What is the InChIKey of 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
The InChIKey is OOBYTHCDLXYRIE-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-3-5-11(6-4-9)18-19-15-16(22)13(20)8-12-10(2)7-14(21)23-17(12)15/h3-8,20,22H,1-2H3/b19-18+.
What are the key properties of 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one?
6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one has a molecular weight of 310.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one is sourced from PubChem (CID 135471441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).