3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol

C10H13NO4 — CID 86192290

IUPAC3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1c(O)cc2c(c1OC)OCC2N
InChIInChI=1S/C10H13NO4/c1-13-9-7(12)3-5-6(11)4-15-8(5)10(9)14-2/h3,6,12H,4,11H2,1-2H3
InChIKeyXHVMZOGXWPNTEM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.80
Rot. Bonds2

About 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol

3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 86192290) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
PubChem CID86192290
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1c(O)cc2c(c1OC)OCC2N
InChIInChI=1S/C10H13NO4/c1-13-9-7(12)3-5-6(11)4-15-8(5)10(9)14-2/h3,6,12H,4,11H2,1-2H3
InChIKeyXHVMZOGXWPNTEM-UHFFFAOYSA-N
XLogP0.80
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol (CID 86192290) is 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol is COc1c(O)cc2c(c1OC)OCC2N.
What is the InChIKey of 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is XHVMZOGXWPNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-9-7(12)3-5-6(11)4-15-8(5)10(9)14-2/h3,6,12H,4,11H2,1-2H3.
What are the key properties of 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol?
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 211.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 86192290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).