6-amino-2,3-dimethoxyphenol

C8H11NO3 — CID 13068498

IUPAC6-amino-2,3-dimethoxyphenol
SMILESCOc1ccc(N)c(O)c1OC
InChIInChI=1S/C8H11NO3/c1-11-6-4-3-5(9)7(10)8(6)12-2/h3-4,10H,9H2,1-2H3
InChIKeyPQFYZFNXQANCKB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.99
Rot. Bonds2

About 6-amino-2,3-dimethoxyphenol

6-amino-2,3-dimethoxyphenol (PubChem CID 13068498) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-amino-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-amino-2,3-dimethoxyphenol
PubChem CID13068498
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name6-amino-2,3-dimethoxyphenol
SMILESCOc1ccc(N)c(O)c1OC
InChIInChI=1S/C8H11NO3/c1-11-6-4-3-5(9)7(10)8(6)12-2/h3-4,10H,9H2,1-2H3
InChIKeyPQFYZFNXQANCKB-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethoxyphenol?
The IUPAC name of 6-amino-2,3-dimethoxyphenol (CID 13068498) is 6-amino-2,3-dimethoxyphenol.
What is the SMILES notation for 6-amino-2,3-dimethoxyphenol?
The canonical SMILES for 6-amino-2,3-dimethoxyphenol is COc1ccc(N)c(O)c1OC.
What is the InChIKey of 6-amino-2,3-dimethoxyphenol?
The InChIKey is PQFYZFNXQANCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-6-4-3-5(9)7(10)8(6)12-2/h3-4,10H,9H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethoxyphenol?
6-amino-2,3-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 6-amino-2,3-dimethoxyphenol is sourced from PubChem (CID 13068498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).