5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid

C15H12N2O5 — CID 22084310

IUPAC5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(CO)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H12N2O5/c18-8-10-3-6-12(7-13(10)15(21)22)17-16-11-4-1-9(2-5-11)14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)/b17-16+
InChIKeyHZOVOVMEYPLRFH-WUKNDPDISA-N
MW300.27 g/mol
LogP2.99
Rot. Bonds5

About 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid

5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid (PubChem CID 22084310) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid
PubChem CID22084310
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(CO)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H12N2O5/c18-8-10-3-6-12(7-13(10)15(21)22)17-16-11-4-1-9(2-5-11)14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)/b17-16+
InChIKeyHZOVOVMEYPLRFH-WUKNDPDISA-N
XLogP2.99
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-[[4-(hydroperoxymethyl)phenyl]diazenyl]-2-(hydroxymethyl)benzoic acid
CID 22088172
4-phenyldiazenylbenzoic acid
CID 15276
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
5-(aminomethyl)-2-(hydroxymethyl)benzoic acid
CID 123783909
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid
CID 134473552
ethane;2-(hydroxymethyl)-5-(4-methylphenyl)benzoic acid
CID 143170449
4-[(3,4-dicarboxyphenyl)diazenyl]phthalic acid;3-[(2,3-dicarboxyphenyl)methyl]phthalic acid
CID 87859075
oxophosphane;terephthalic acid
CID 175391404
3-phenyldiazenylbenzoic acid
CID 555783

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid?
The IUPAC name of 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid (CID 22084310) is 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid?
The canonical SMILES for 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid is O=C(O)c1ccc(/N=N/c2ccc(CO)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid?
The InChIKey is HZOVOVMEYPLRFH-WUKNDPDISA-N. The full InChI is InChI=1S/C15H12N2O5/c18-8-10-3-6-12(7-13(10)15(21)22)17-16-11-4-1-9(2-5-11)14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)/b17-16+.
What are the key properties of 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid?
5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carboxyphenyl)diazenyl]-2-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 22084310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).