2-amino-4,5-dimethoxyphenol

C8H11NO3 — CID 13408824

IUPAC2-amino-4,5-dimethoxyphenol
SMILESCOc1cc(N)c(O)cc1OC
InChIInChI=1S/C8H11NO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,9H2,1-2H3
InChIKeyDSRNAJDVFNETPG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-4,5-dimethoxyphenol

2-amino-4,5-dimethoxyphenol (PubChem CID 13408824) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-amino-4,5-dimethoxyphenol
PubChem CID13408824
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-amino-4,5-dimethoxyphenol
SMILESCOc1cc(N)c(O)cc1OC
InChIInChI=1S/C8H11NO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,9H2,1-2H3
InChIKeyDSRNAJDVFNETPG-UHFFFAOYSA-N
XLogP0.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-dimethoxyphenol 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 2-amino-4,5-dimethoxyphenol?
The IUPAC name of 2-amino-4,5-dimethoxyphenol (CID 13408824) is 2-amino-4,5-dimethoxyphenol.
What is the SMILES notation for 2-amino-4,5-dimethoxyphenol?
The canonical SMILES for 2-amino-4,5-dimethoxyphenol is COc1cc(N)c(O)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxyphenol?
The InChIKey is DSRNAJDVFNETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,9H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethoxyphenol?
2-amino-4,5-dimethoxyphenol has a molecular weight of 169.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxyphenol is sourced from PubChem (CID 13408824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).