2-(aminooxymethyl)-1-benzofuran-7-ol

C9H9NO3 — CID 117197013

IUPAC2-(aminooxymethyl)-1-benzofuran-7-ol
SMILESNOCc1cc2cccc(O)c2o1
InChIInChI=1S/C9H9NO3/c10-12-5-7-4-6-2-1-3-8(11)9(6)13-7/h1-4,11H,5,10H2
InChIKeyQRNLRJRGYWAJIZ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.53
Rot. Bonds2

About 2-(aminooxymethyl)-1-benzofuran-7-ol

2-(aminooxymethyl)-1-benzofuran-7-ol (PubChem CID 117197013) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(aminooxymethyl)-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-(aminooxymethyl)-1-benzofuran-7-ol
PubChem CID117197013
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(aminooxymethyl)-1-benzofuran-7-ol
SMILESNOCc1cc2cccc(O)c2o1
InChIInChI=1S/C9H9NO3/c10-12-5-7-4-6-2-1-3-8(11)9(6)13-7/h1-4,11H,5,10H2
InChIKeyQRNLRJRGYWAJIZ-UHFFFAOYSA-N
XLogP1.53
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-1-benzofuran-7-ol?
The IUPAC name of 2-(aminooxymethyl)-1-benzofuran-7-ol (CID 117197013) is 2-(aminooxymethyl)-1-benzofuran-7-ol.
What is the SMILES notation for 2-(aminooxymethyl)-1-benzofuran-7-ol?
The canonical SMILES for 2-(aminooxymethyl)-1-benzofuran-7-ol is NOCc1cc2cccc(O)c2o1.
What is the InChIKey of 2-(aminooxymethyl)-1-benzofuran-7-ol?
The InChIKey is QRNLRJRGYWAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-12-5-7-4-6-2-1-3-8(11)9(6)13-7/h1-4,11H,5,10H2.
What are the key properties of 2-(aminooxymethyl)-1-benzofuran-7-ol?
2-(aminooxymethyl)-1-benzofuran-7-ol has a molecular weight of 179.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-1-benzofuran-7-ol is sourced from PubChem (CID 117197013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).