1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid

C18H14N2O3 — CID 136679288

IUPAC1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1ccc(/N=N/c2cc(C(=O)O)c(O)c3ccccc23)cc1
InChIInChI=1S/C18H14N2O3/c1-11-6-8-12(9-7-11)19-20-16-10-15(18(22)23)17(21)14-5-3-2-4-13(14)16/h2-10,21H,1H3,(H,22,23)/b20-19+
InChIKeyULLGOQWKCNOPNQ-FMQUCBEESA-N
MW306.32 g/mol
LogP4.97
Rot. Bonds3

About 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid

1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid (PubChem CID 136679288) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
PubChem CID136679288
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1ccc(/N=N/c2cc(C(=O)O)c(O)c3ccccc23)cc1
InChIInChI=1S/C18H14N2O3/c1-11-6-8-12(9-7-11)19-20-16-10-15(18(22)23)17(21)14-5-3-2-4-13(14)16/h2-10,21H,1H3,(H,22,23)/b20-19+
InChIKeyULLGOQWKCNOPNQ-FMQUCBEESA-N
XLogP4.97
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 171384089
4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
CID 136679545
1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
CID 54339362
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136714793
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
2-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid
CID 136640607
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 173040518

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid (CID 136679288) is 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid is Cc1ccc(/N=N/c2cc(C(=O)O)c(O)c3ccccc23)cc1.
What is the InChIKey of 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid?
The InChIKey is ULLGOQWKCNOPNQ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-6-8-12(9-7-11)19-20-16-10-15(18(22)23)17(21)14-5-3-2-4-13(14)16/h2-10,21H,1H3,(H,22,23)/b20-19+.
What are the key properties of 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid?
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 136679288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).