2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol

C13H11N3O3 — CID 136617946

IUPAC2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol
SMILESO=Nc1ccc(/N=N/c2ccc(O)c(CO)c2)cc1
InChIInChI=1S/C13H11N3O3/c17-8-9-7-12(5-6-13(9)18)15-14-10-1-3-11(16-19)4-2-10/h1-7,17-18H,8H2/b15-14+
InChIKeyMDRCROIJLZHIGL-CCEZHUSRSA-N
MW257.25 g/mol
LogP3.70
Rot. Bonds4

About 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol

2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol (PubChem CID 136617946) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol
PubChem CID136617946
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol
SMILESO=Nc1ccc(/N=N/c2ccc(O)c(CO)c2)cc1
InChIInChI=1S/C13H11N3O3/c17-8-9-7-12(5-6-13(9)18)15-14-10-1-3-11(16-19)4-2-10/h1-7,17-18H,8H2/b15-14+
InChIKeyMDRCROIJLZHIGL-CCEZHUSRSA-N
XLogP3.70
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol (CID 136617946) is 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol is O=Nc1ccc(/N=N/c2ccc(O)c(CO)c2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol?
The InChIKey is MDRCROIJLZHIGL-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-8-9-7-12(5-6-13(9)18)15-14-10-1-3-11(16-19)4-2-10/h1-7,17-18H,8H2/b15-14+.
What are the key properties of 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol?
2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol has a molecular weight of 257.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol is sourced from PubChem (CID 136617946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).