2-[(methyldiazenyl)methyl]benzene-1,3-diol

C8H10N2O2 — CID 123486137

IUPAC2-[(methyldiazenyl)methyl]benzene-1,3-diol
SMILESC/N=N/Cc1c(O)cccc1O
InChIInChI=1S/C8H10N2O2/c1-9-10-5-6-7(11)3-2-4-8(6)12/h2-4,11-12H,5H2,1H3/b10-9+
InChIKeySRMRRKFLSNFOST-MDZDMXLPSA-N
MW166.18 g/mol
LogP1.68
Rot. Bonds2

About 2-[(methyldiazenyl)methyl]benzene-1,3-diol

2-[(methyldiazenyl)methyl]benzene-1,3-diol (PubChem CID 123486137) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[(methyldiazenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(methyldiazenyl)methyl]benzene-1,3-diol
PubChem CID123486137
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-[(methyldiazenyl)methyl]benzene-1,3-diol
SMILESC/N=N/Cc1c(O)cccc1O
InChIInChI=1S/C8H10N2O2/c1-9-10-5-6-7(11)3-2-4-8(6)12/h2-4,11-12H,5H2,1H3/b10-9+
InChIKeySRMRRKFLSNFOST-MDZDMXLPSA-N
XLogP1.68
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(methyldiazenyl)methyl]benzene-1,3-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

(2,6-dichlorophenyl)methyl-methyldiazene
CID 123418574
2-(hydroxymethyl)-3-methylphenol
CID 10997099
2-butyl-3-methylphenol
CID 174788119
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
3-chloro-2-propylphenol
CID 15747295
2-(2-chloroethyl)-3-fluorophenol
CID 154073963
2,3-bis(fluoromethyl)phenol
CID 139649900
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
2-pentylbenzene-1,3-diol
CID 15007741
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
2-hexyl-3-methylphenol
CID 28322
benzene-1,2-diol;methanamine
CID 159187656

Frequently Asked Questions

What is the IUPAC name of 2-[(methyldiazenyl)methyl]benzene-1,3-diol?
The IUPAC name of 2-[(methyldiazenyl)methyl]benzene-1,3-diol (CID 123486137) is 2-[(methyldiazenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(methyldiazenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 2-[(methyldiazenyl)methyl]benzene-1,3-diol is C/N=N/Cc1c(O)cccc1O.
What is the InChIKey of 2-[(methyldiazenyl)methyl]benzene-1,3-diol?
The InChIKey is SRMRRKFLSNFOST-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-10-5-6-7(11)3-2-4-8(6)12/h2-4,11-12H,5H2,1H3/b10-9+.
What are the key properties of 2-[(methyldiazenyl)methyl]benzene-1,3-diol?
2-[(methyldiazenyl)methyl]benzene-1,3-diol has a molecular weight of 166.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methyldiazenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 123486137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).