2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol

C17H22N2O6 — CID 59194580

IUPAC2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
SMILESCOc1cc(Cc2cc(OC)c(O)c(N)c2OC)c(OC)c(N)c1O
InChIInChI=1S/C17H22N2O6/c1-22-10-6-8(16(24-3)12(18)14(10)20)5-9-7-11(23-2)15(21)13(19)17(9)25-4/h6-7,20-21H,5,18-19H2,1-4H3
InChIKeyJGGMPXRJXFUEPG-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol

2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol (PubChem CID 59194580) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
PubChem CID59194580
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
SMILESCOc1cc(Cc2cc(OC)c(O)c(N)c2OC)c(OC)c(N)c1O
InChIInChI=1S/C17H22N2O6/c1-22-10-6-8(16(24-3)12(18)14(10)20)5-9-7-11(23-2)15(21)13(19)17(9)25-4/h6-7,20-21H,5,18-19H2,1-4H3
InChIKeyJGGMPXRJXFUEPG-UHFFFAOYSA-N
XLogP1.89
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol?
The IUPAC name of 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol (CID 59194580) is 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol?
The canonical SMILES for 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol is COc1cc(Cc2cc(OC)c(O)c(N)c2OC)c(OC)c(N)c1O.
What is the InChIKey of 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol?
The InChIKey is JGGMPXRJXFUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-22-10-6-8(16(24-3)12(18)14(10)20)5-9-7-11(23-2)15(21)13(19)17(9)25-4/h6-7,20-21H,5,18-19H2,1-4H3.
What are the key properties of 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol?
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol has a molecular weight of 350.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 59194580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).