methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate

C21H16N2O5 — CID 140971167

IUPACmethyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate
SMILESCOC(=O)c1cc(/N=N/c2ccc(O)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H16N2O5/c1-27-21(26)18-13-16(23-22-15-7-10-17(24)11-8-15)9-12-19(18)28-20(25)14-5-3-2-4-6-14/h2-13,24H,1H3/b23-22+
InChIKeyOMNAUSCSEDBEGN-GHVJWSGMSA-N
MW376.37 g/mol
LogP4.81
Rot. Bonds5

About methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate

methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate (PubChem CID 140971167) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate
PubChem CID140971167
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate
SMILESCOC(=O)c1cc(/N=N/c2ccc(O)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H16N2O5/c1-27-21(26)18-13-16(23-22-15-7-10-17(24)11-8-15)9-12-19(18)28-20(25)14-5-3-2-4-6-14/h2-13,24H,1H3/b23-22+
InChIKeyOMNAUSCSEDBEGN-GHVJWSGMSA-N
XLogP4.81
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate?
The IUPAC name of methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate (CID 140971167) is methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate.
What is the SMILES notation for methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate?
The canonical SMILES for methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate is COC(=O)c1cc(/N=N/c2ccc(O)cc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate?
The InChIKey is OMNAUSCSEDBEGN-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-27-21(26)18-13-16(23-22-15-7-10-17(24)11-8-15)9-12-19(18)28-20(25)14-5-3-2-4-6-14/h2-13,24H,1H3/b23-22+.
What are the key properties of methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate?
methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate has a molecular weight of 376.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate is sourced from PubChem (CID 140971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).