O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine

C13H17NO4 — CID 117380937

IUPACO-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
SMILESCOc1c2c(c(CCON)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO4/c1-15-12-10-3-6-16-11(10)8(4-7-18-14)9-2-5-17-13(9)12/h2-7,14H2,1H3
InChIKeyOZCSOIAWISSCPG-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.00
Rot. Bonds4

About O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine

O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine (PubChem CID 117380937) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
PubChem CID117380937
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameO-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
SMILESCOc1c2c(c(CCON)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO4/c1-15-12-10-3-6-16-11(10)8(4-7-18-14)9-2-5-17-13(9)12/h2-7,14H2,1H3
InChIKeyOZCSOIAWISSCPG-UHFFFAOYSA-N
XLogP1.00
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine (CID 117380937) is O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine is COc1c2c(c(CCON)c3c1OCC3)OCC2.
What is the InChIKey of O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine?
The InChIKey is OZCSOIAWISSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-15-12-10-3-6-16-11(10)8(4-7-18-14)9-2-5-17-13(9)12/h2-7,14H2,1H3.
What are the key properties of O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine?
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine has a molecular weight of 251.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).