4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid

C18H14N2O3 — CID 86200643

IUPAC4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid
SMILESCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)c2ccccc12
InChIInChI=1S/C18H14N2O3/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)20-19-13-8-6-12(7-9-13)18(21)22/h2-11H,1H3,(H,21,22)/b20-19+
InChIKeyXBFVVHRGDZDINB-FMQUCBEESA-N
MW306.32 g/mol
LogP4.96
Rot. Bonds4

About 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid

4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid (PubChem CID 86200643) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid
PubChem CID86200643
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid
SMILESCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)c2ccccc12
InChIInChI=1S/C18H14N2O3/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)20-19-13-8-6-12(7-9-13)18(21)22/h2-11H,1H3,(H,21,22)/b20-19+
InChIKeyXBFVVHRGDZDINB-FMQUCBEESA-N
XLogP4.96
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid (CID 86200643) is 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid is COc1ccc(/N=N/c2ccc(C(=O)O)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid?
The InChIKey is XBFVVHRGDZDINB-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)20-19-13-8-6-12(7-9-13)18(21)22/h2-11H,1H3,(H,21,22)/b20-19+.
What are the key properties of 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid?
4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxynaphthalen-1-yl)diazenyl]benzoic acid is sourced from PubChem (CID 86200643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).