8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

C13H17NO3 — CID 117342181

IUPAC8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESCC(C)(N)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO3/c1-13(2,14)9-7-3-5-17-12(7)10(15)8-4-6-16-11(8)9/h15H,3-6,14H2,1-2H3
InChIKeyBQAHHSJATYWGGA-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.46
Rot. Bonds1

About 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117342181) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117342181
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESCC(C)(N)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO3/c1-13(2,14)9-7-3-5-17-12(7)10(15)8-4-6-16-11(8)9/h15H,3-6,14H2,1-2H3
InChIKeyBQAHHSJATYWGGA-UHFFFAOYSA-N
XLogP1.46
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117342181) is 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is CC(C)(N)c1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is BQAHHSJATYWGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,14)9-7-3-5-17-12(7)10(15)8-4-6-16-11(8)9/h15H,3-6,14H2,1-2H3.
What are the key properties of 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 235.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopropan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117342181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).