1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone

C11H11NO4 — CID 71328929

IUPAC1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
SMILESCOc1c(C(C)=O)c(O)c(N)c2occc12
InChIInChI=1S/C11H11NO4/c1-5(13)7-9(14)8(12)11-6(3-4-16-11)10(7)15-2/h3-4,14H,12H2,1-2H3
InChIKeyGKOXASHBYKNXHN-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.93
Rot. Bonds2

About 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone

1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone (PubChem CID 71328929) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
PubChem CID71328929
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
SMILESCOc1c(C(C)=O)c(O)c(N)c2occc12
InChIInChI=1S/C11H11NO4/c1-5(13)7-9(14)8(12)11-6(3-4-16-11)10(7)15-2/h3-4,14H,12H2,1-2H3
InChIKeyGKOXASHBYKNXHN-UHFFFAOYSA-N
XLogP1.93
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone (CID 71328929) is 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone is COc1c(C(C)=O)c(O)c(N)c2occc12.
What is the InChIKey of 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone?
The InChIKey is GKOXASHBYKNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-5(13)7-9(14)8(12)11-6(3-4-16-11)10(7)15-2/h3-4,14H,12H2,1-2H3.
What are the key properties of 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone?
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone has a molecular weight of 221.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 71328929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).