2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid

C17H12N2O6 — CID 164627530

IUPAC2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid
SMILESCc1cc(=O)oc2c(/N=N/c3ccc(O)c(C(=O)O)c3)c(O)ccc12
InChIInChI=1S/C17H12N2O6/c1-8-6-14(22)25-16-10(8)3-5-13(21)15(16)19-18-9-2-4-12(20)11(7-9)17(23)24/h2-7,20-21H,1H3,(H,23,24)/b19-18+
InChIKeyWURUARNLEISWJQ-VHEBQXMUSA-N
MW340.29 g/mol
LogP3.63
Rot. Bonds3

About 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid

2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid (PubChem CID 164627530) has the molecular formula C17H12N2O6 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid
PubChem CID164627530
Molecular FormulaC17H12N2O6
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC Name2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid
SMILESCc1cc(=O)oc2c(/N=N/c3ccc(O)c(C(=O)O)c3)c(O)ccc12
InChIInChI=1S/C17H12N2O6/c1-8-6-14(22)25-16-10(8)3-5-13(21)15(16)19-18-9-2-4-12(20)11(7-9)17(23)24/h2-7,20-21H,1H3,(H,23,24)/b19-18+
InChIKeyWURUARNLEISWJQ-VHEBQXMUSA-N
XLogP3.63
TPSA132.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-nitro-2-phenyl-
CID 5480908
7-Hydroxy-6-nitro-2-phenyl-chromen-4-one
CID 10755384
5-Hydroxy-2-(2-methoxyphenyl)-8-nitro-chromone
CID 16060391
6-Amino-5,7-dihydroxyflavone
CID 11242643
(E)-3-(3-amino-4-methoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one;(Z)-but-2-enedioic acid
CID 118715140
2-hydroxy-5-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)benzoic acid
CID 1319780
8-Amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 5480909
3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate
CID 146138
5-Hydroxy-8-iodo-7-methoxy-6-nitro-2-phenylchromen-4-one
CID 44382412
Cremeomycin
CID 54704722
6-Amino-2-(4-aminophenyl)-7-hydroxychromen-4-one
CID 9970231

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid (CID 164627530) is 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid is Cc1cc(=O)oc2c(/N=N/c3ccc(O)c(C(=O)O)c3)c(O)ccc12.
What is the InChIKey of 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid?
The InChIKey is WURUARNLEISWJQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H12N2O6/c1-8-6-14(22)25-16-10(8)3-5-13(21)15(16)19-18-9-2-4-12(20)11(7-9)17(23)24/h2-7,20-21H,1H3,(H,23,24)/b19-18+.
What are the key properties of 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid?
2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid has a molecular weight of 340.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid is sourced from PubChem (CID 164627530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).