3-amino-2,4,5,6-tetradeuteriophenol

C6H7NO — CID 169433284

IUPAC3-amino-2,4,5,6-tetradeuteriophenol
SMILES[2H]c1c([2H])c(N)c([2H])c(O)c1[2H]
InChIInChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2/i1D,2D,3D,4D
InChIKeyCWLKGDAVCFYWJK-RHQRLBAQSA-N
MW113.15 g/mol
LogP0.97
Rot. Bonds

About 3-amino-2,4,5,6-tetradeuteriophenol

3-amino-2,4,5,6-tetradeuteriophenol (PubChem CID 169433284) has the molecular formula C6H7NO and a molecular weight of 113.15 g/mol. Its IUPAC name is 3-amino-2,4,5,6-tetradeuteriophenol.

Molecular Properties

Compound Name3-amino-2,4,5,6-tetradeuteriophenol
PubChem CID169433284
Molecular FormulaC6H7NO
Molecular Weight113.15 g/mol
Exact Mass113.08
IUPAC Name3-amino-2,4,5,6-tetradeuteriophenol
SMILES[2H]c1c([2H])c(N)c([2H])c(O)c1[2H]
InChIInChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2/i1D,2D,3D,4D
InChIKeyCWLKGDAVCFYWJK-RHQRLBAQSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,4,5,6-tetradeuteriophenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,5,6-tetradeuteriophenol?
The IUPAC name of 3-amino-2,4,5,6-tetradeuteriophenol (CID 169433284) is 3-amino-2,4,5,6-tetradeuteriophenol.
What is the SMILES notation for 3-amino-2,4,5,6-tetradeuteriophenol?
The canonical SMILES for 3-amino-2,4,5,6-tetradeuteriophenol is [2H]c1c([2H])c(N)c([2H])c(O)c1[2H].
What is the InChIKey of 3-amino-2,4,5,6-tetradeuteriophenol?
The InChIKey is CWLKGDAVCFYWJK-RHQRLBAQSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2/i1D,2D,3D,4D.
What are the key properties of 3-amino-2,4,5,6-tetradeuteriophenol?
3-amino-2,4,5,6-tetradeuteriophenol has a molecular weight of 113.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,5,6-tetradeuteriophenol is sourced from PubChem (CID 169433284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).