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

C16H12N2O3 — CID 137230626

IUPAC2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESOc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1
InChIInChI=1S/C16H12N2O3/c19-11-6-4-10(5-7-11)17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)20/h1-9,19-21H/b18-17+
InChIKeyPHAIWNLEZGQEFA-ISLYRVAYSA-N
MW280.28 g/mol
LogP4.37
Rot. Bonds2

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

2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol (PubChem CID 137230626) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
PubChem CID137230626
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESOc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1
InChIInChI=1S/C16H12N2O3/c19-11-6-4-10(5-7-11)17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)20/h1-9,19-21H/b18-17+
InChIKeyPHAIWNLEZGQEFA-ISLYRVAYSA-N
XLogP4.37
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230625
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 135727414
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
4-[[2-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenol
CID 174765894
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2-[(2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135744709
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
CID 136661095

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The IUPAC name of 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol (CID 137230626) is 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol.
What is the SMILES notation for 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The canonical SMILES for 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol is Oc1ccc(/N=N/c2ccc3c(O)cccc3c2O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The InChIKey is PHAIWNLEZGQEFA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-11-6-4-10(5-7-11)17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)20/h1-9,19-21H/b18-17+.
What are the key properties of 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol has a molecular weight of 280.28 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol is sourced from PubChem (CID 137230626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).