4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid

C15H12N2O5 — CID 139851917

IUPAC4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
SMILESCOc1cccc(/N=N/c2ccc(C(=O)O)cc2C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c1-22-11-4-2-3-10(8-11)16-17-13-6-5-9(14(18)19)7-12(13)15(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b17-16+
InChIKeyBPFMTIGMOOOHKQ-WUKNDPDISA-N
MW300.27 g/mol
LogP3.51
Rot. Bonds5

About 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid

4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid (PubChem CID 139851917) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
PubChem CID139851917
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
SMILESCOc1cccc(/N=N/c2ccc(C(=O)O)cc2C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c1-22-11-4-2-3-10(8-11)16-17-13-6-5-9(14(18)19)7-12(13)15(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b17-16+
InChIKeyBPFMTIGMOOOHKQ-WUKNDPDISA-N
XLogP3.51
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
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

2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
CID 21217723
3-phenyldiazenylbenzoic acid
CID 555783
4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid
CID 581598
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
5-(3-carboxybenzoyl)-2-methoxybenzoic acid
CID 71390290
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
dimethyl (E)-3-hydroxy-2-[(3-methoxyphenyl)diazenyl]pent-2-enedioate
CID 137177101
2-[[4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]phenyl]diazenyl]benzoic acid
CID 136901151
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid (CID 139851917) is 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid is COc1cccc(/N=N/c2ccc(C(=O)O)cc2C(=O)O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid?
The InChIKey is BPFMTIGMOOOHKQ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H12N2O5/c1-22-11-4-2-3-10(8-11)16-17-13-6-5-9(14(18)19)7-12(13)15(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b17-16+.
What are the key properties of 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid?
4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 139851917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).