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

C12H15NO3 — CID 117315544

IUPAC8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNCCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C12H15NO3/c13-4-1-7-8-2-5-16-12(8)10(14)9-3-6-15-11(7)9/h14H,1-6,13H2
InChIKeyCWQJFKKTVLJIMR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.76
Rot. Bonds2

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

8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117315544) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117315544
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNCCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C12H15NO3/c13-4-1-7-8-2-5-16-12(8)10(14)9-3-6-15-11(7)9/h14H,1-6,13H2
InChIKeyCWQJFKKTVLJIMR-UHFFFAOYSA-N
XLogP0.76
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117315544) is 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is NCCc1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is CWQJFKKTVLJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-4-1-7-8-2-5-16-12(8)10(14)9-3-6-15-11(7)9/h14H,1-6,13H2.
What are the key properties of 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 221.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).