[3-(dimethylaminodiazenyl)phenyl]methanol

C9H13N3O — CID 11715284

IUPAC[3-(dimethylaminodiazenyl)phenyl]methanol
SMILESCN(C)/N=N/c1cccc(CO)c1
InChIInChI=1S/C9H13N3O/c1-12(2)11-10-9-5-3-4-8(6-9)7-13/h3-6,13H,7H2,1-2H3/b11-10+
InChIKeyHWVTYSOZZKUWGJ-ZHACJKMWSA-N
MW179.22 g/mol
LogP1.74
Rot. Bonds3

About [3-(dimethylaminodiazenyl)phenyl]methanol

[3-(dimethylaminodiazenyl)phenyl]methanol (PubChem CID 11715284) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [3-(dimethylaminodiazenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(dimethylaminodiazenyl)phenyl]methanol
PubChem CID11715284
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[3-(dimethylaminodiazenyl)phenyl]methanol
SMILESCN(C)/N=N/c1cccc(CO)c1
InChIInChI=1S/C9H13N3O/c1-12(2)11-10-9-5-3-4-8(6-9)7-13/h3-6,13H,7H2,1-2H3/b11-10+
InChIKeyHWVTYSOZZKUWGJ-ZHACJKMWSA-N
XLogP1.74
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylaminodiazenyl)phenyl]methanol?
The IUPAC name of [3-(dimethylaminodiazenyl)phenyl]methanol (CID 11715284) is [3-(dimethylaminodiazenyl)phenyl]methanol.
What is the SMILES notation for [3-(dimethylaminodiazenyl)phenyl]methanol?
The canonical SMILES for [3-(dimethylaminodiazenyl)phenyl]methanol is CN(C)/N=N/c1cccc(CO)c1.
What is the InChIKey of [3-(dimethylaminodiazenyl)phenyl]methanol?
The InChIKey is HWVTYSOZZKUWGJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12(2)11-10-9-5-3-4-8(6-9)7-13/h3-6,13H,7H2,1-2H3/b11-10+.
What are the key properties of [3-(dimethylaminodiazenyl)phenyl]methanol?
[3-(dimethylaminodiazenyl)phenyl]methanol has a molecular weight of 179.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylaminodiazenyl)phenyl]methanol is sourced from PubChem (CID 11715284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).