4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid

C19H16N2O4 — CID 581598

IUPAC4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid
SMILESCOc1cc(/N=N/c2ccc3ccccc3c2)c(C(=O)O)cc1OC
InChIInChI=1S/C19H16N2O4/c1-24-17-10-15(19(22)23)16(11-18(17)25-2)21-20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,22,23)/b21-20+
InChIKeyIHLKYRKTOKWIMJ-QZQOTICOSA-N
MW336.35 g/mol
LogP4.97
Rot. Bonds5

About 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid

4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid (PubChem CID 581598) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid
PubChem CID581598
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid
SMILESCOc1cc(/N=N/c2ccc3ccccc3c2)c(C(=O)O)cc1OC
InChIInChI=1S/C19H16N2O4/c1-24-17-10-15(19(22)23)16(11-18(17)25-2)21-20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,22,23)/b21-20+
InChIKeyIHLKYRKTOKWIMJ-QZQOTICOSA-N
XLogP4.97
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
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

(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
[3-methyl-4-(naphthalen-2-yldiazenyl)phenyl] 4-methoxybenzoate
CID 101055785
4-[(3-methoxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid
CID 139851917
2-[[4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]phenyl]diazenyl]benzoic acid
CID 136901151
2-(dimethylaminomethylideneamino)-4-methoxy-5-phenylmethoxybenzoic acid
CID 155235881
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid?
The IUPAC name of 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid (CID 581598) is 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid is COc1cc(/N=N/c2ccc3ccccc3c2)c(C(=O)O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid?
The InChIKey is IHLKYRKTOKWIMJ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-17-10-15(19(22)23)16(11-18(17)25-2)21-20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,22,23)/b21-20+.
What are the key properties of 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid?
4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(naphthalen-2-yldiazenyl)benzoic acid is sourced from PubChem (CID 581598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).