methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate

C16H14N2O4 — CID 142112506

IUPACmethyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1O
InChIInChI=1S/C16H14N2O4/c1-10(19)11-3-5-12(6-4-11)17-18-13-7-8-14(15(20)9-13)16(21)22-2/h3-9,20H,1-2H3/b18-17+
InChIKeyPUISQYHIFGHFIN-ISLYRVAYSA-N
MW298.30 g/mol
LogP3.80
Rot. Bonds4

About methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate

methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate (PubChem CID 142112506) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate
PubChem CID142112506
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1O
InChIInChI=1S/C16H14N2O4/c1-10(19)11-3-5-12(6-4-11)17-18-13-7-8-14(15(20)9-13)16(21)22-2/h3-9,20H,1-2H3/b18-17+
InChIKeyPUISQYHIFGHFIN-ISLYRVAYSA-N
XLogP3.80
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794481
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 4-[[(cyanoamino)-methylsulfanylmethylidene]amino]-2-hydroxybenzoate
CID 169364694
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 5-[(4-benzoyloxy-3-methoxycarbonylphenyl)diazenyl]-2-hydroxybenzoate
CID 141026175
methyl 2-benzoyloxy-5-[(4-hydroxyphenyl)diazenyl]benzoate
CID 140971167
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate?
The IUPAC name of methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate (CID 142112506) is methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate is COC(=O)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1O.
What is the InChIKey of methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate?
The InChIKey is PUISQYHIFGHFIN-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10(19)11-3-5-12(6-4-11)17-18-13-7-8-14(15(20)9-13)16(21)22-2/h3-9,20H,1-2H3/b18-17+.
What are the key properties of methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate?
methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate has a molecular weight of 298.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate is sourced from PubChem (CID 142112506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).