2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol

C17H14N2O3 — CID 137230625

IUPAC2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESCOc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-12-7-5-11(6-8-12)18-19-15-10-9-13-14(17(15)21)3-2-4-16(13)20/h2-10,20-21H,1H3/b19-18+
InChIKeyBRAMJJFKHZCYQW-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.68
Rot. Bonds3

About 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol

2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol (PubChem CID 137230625) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
PubChem CID137230625
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESCOc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-12-7-5-11(6-8-12)18-19-15-10-9-13-14(17(15)21)3-2-4-16(13)20/h2-10,20-21H,1H3/b19-18+
InChIKeyBRAMJJFKHZCYQW-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': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230626
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 135727414
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
CID 572351
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
sodium 5-hydroxy-6-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 135422209
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
(4-methoxyphenyl)-methyldiazene
CID 20589170

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol?
The IUPAC name of 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol (CID 137230625) is 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol.
What is the SMILES notation for 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol?
The canonical SMILES for 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol is COc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol?
The InChIKey is BRAMJJFKHZCYQW-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-12-7-5-11(6-8-12)18-19-15-10-9-13-14(17(15)21)3-2-4-16(13)20/h2-10,20-21H,1H3/b19-18+.
What are the key properties of 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol?
2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-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 2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol is sourced from PubChem (CID 137230625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).