1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol

C17H14N2O3 — CID 2825307

IUPAC1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol
SMILESCOc1ccc(/N=N/c2c(O)c(O)cc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)18-19-16-14-5-3-2-4-11(14)10-15(20)17(16)21/h2-10,20-21H,1H3/b19-18+
InChIKeyVHERGMUKGWHKGG-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.68
Rot. Bonds3

About 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol

1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol (PubChem CID 2825307) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol
PubChem CID2825307
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol
SMILESCOc1ccc(/N=N/c2c(O)c(O)cc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)18-19-16-14-5-3-2-4-11(14)10-15(20)17(16)21/h2-10,20-21H,1H3/b19-18+
InChIKeyVHERGMUKGWHKGG-VHEBQXMUSA-N
XLogP4.68
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol?
The IUPAC name of 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol (CID 2825307) is 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol.
What is the SMILES notation for 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol?
The canonical SMILES for 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol is COc1ccc(/N=N/c2c(O)c(O)cc3ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol?
The InChIKey is VHERGMUKGWHKGG-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)18-19-16-14-5-3-2-4-11(14)10-15(20)17(16)21/h2-10,20-21H,1H3/b19-18+.
What are the key properties of 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol?
1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol has a molecular weight of 294.31 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)diazenyl]naphthalene-2,3-diol is sourced from PubChem (CID 2825307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).