8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol

C13H13NO4 — CID 117369734

IUPAC8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol
SMILESCNCC(O)c1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C13H13NO4/c1-14-6-9(15)10-7-2-4-18-13(7)11(16)8-3-5-17-12(8)10/h2-5,9,14-16H,6H2,1H3
InChIKeyXSHOKZXIXSRHRS-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.14
Rot. Bonds3

About 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol

8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol (PubChem CID 117369734) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol
PubChem CID117369734
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol
SMILESCNCC(O)c1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C13H13NO4/c1-14-6-9(15)10-7-2-4-18-13(7)11(16)8-3-5-17-12(8)10/h2-5,9,14-16H,6H2,1H3
InChIKeyXSHOKZXIXSRHRS-UHFFFAOYSA-N
XLogP2.14
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol (CID 117369734) is 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol is CNCC(O)c1c2ccoc2c(O)c2ccoc12.
What is the InChIKey of 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol?
The InChIKey is XSHOKZXIXSRHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-6-9(15)10-7-2-4-18-13(7)11(16)8-3-5-17-12(8)10/h2-5,9,14-16H,6H2,1H3.
What are the key properties of 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol?
8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol has a molecular weight of 247.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117369734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).