3-(3-carboxyphenyl)-2-methoxybenzenediazonium

C14H11N2O3+ — CID 170689275

IUPAC3-(3-carboxyphenyl)-2-methoxybenzenediazonium
SMILESCOc1c([N+]#N)cccc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C14H10N2O3/c1-19-13-11(6-3-7-12(13)16-15)9-4-2-5-10(8-9)14(17)18/h2-8H,1H3/p+1
InChIKeyBEPPAIXFMHOMMU-UHFFFAOYSA-O
MW255.25 g/mol
LogP3.54
Rot. Bonds3

About 3-(3-carboxyphenyl)-2-methoxybenzenediazonium

3-(3-carboxyphenyl)-2-methoxybenzenediazonium (PubChem CID 170689275) has the molecular formula C14H11N2O3+ and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(3-carboxyphenyl)-2-methoxybenzenediazonium.

Molecular Properties

Compound Name3-(3-carboxyphenyl)-2-methoxybenzenediazonium
PubChem CID170689275
Molecular FormulaC14H11N2O3+
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-(3-carboxyphenyl)-2-methoxybenzenediazonium
SMILESCOc1c([N+]#N)cccc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C14H10N2O3/c1-19-13-11(6-3-7-12(13)16-15)9-4-2-5-10(8-9)14(17)18/h2-8H,1H3/p+1
InChIKeyBEPPAIXFMHOMMU-UHFFFAOYSA-O
XLogP3.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)benzoic acid
CID 2759547
2-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
CID 141486571
3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
CID 57483789
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
3-[2-(3-carboxyphenoxy)-3-(3-phenylphenyl)phenoxy]benzoic acid
CID 141049278

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxyphenyl)-2-methoxybenzenediazonium?
The IUPAC name of 3-(3-carboxyphenyl)-2-methoxybenzenediazonium (CID 170689275) is 3-(3-carboxyphenyl)-2-methoxybenzenediazonium.
What is the SMILES notation for 3-(3-carboxyphenyl)-2-methoxybenzenediazonium?
The canonical SMILES for 3-(3-carboxyphenyl)-2-methoxybenzenediazonium is COc1c([N+]#N)cccc1-c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(3-carboxyphenyl)-2-methoxybenzenediazonium?
The InChIKey is BEPPAIXFMHOMMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10N2O3/c1-19-13-11(6-3-7-12(13)16-15)9-4-2-5-10(8-9)14(17)18/h2-8H,1H3/p+1.
What are the key properties of 3-(3-carboxyphenyl)-2-methoxybenzenediazonium?
3-(3-carboxyphenyl)-2-methoxybenzenediazonium has a molecular weight of 255.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxyphenyl)-2-methoxybenzenediazonium is sourced from PubChem (CID 170689275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).