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

C15H19NO3 — CID 117407341

IUPAC8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESOc1c2c(c(CC3CCCN3)c3c1OCC3)OCC2
InChIInChI=1S/C15H19NO3/c17-13-11-4-7-18-14(11)12(8-9-2-1-5-16-9)10-3-6-19-15(10)13/h9,16-17H,1-8H2
InChIKeyOJZDVHHZCLFQAA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds2

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

8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117407341) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117407341
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESOc1c2c(c(CC3CCCN3)c3c1OCC3)OCC2
InChIInChI=1S/C15H19NO3/c17-13-11-4-7-18-14(11)12(8-9-2-1-5-16-9)10-3-6-19-15(10)13/h9,16-17H,1-8H2
InChIKeyOJZDVHHZCLFQAA-UHFFFAOYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol with MolForge

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Related Compounds

8-fluoro-6-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117421556
2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
CID 117315948
5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342288
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683
6-fluoro-5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117385518
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
2-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]pyrrolidine
CID 117432063
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidine
CID 117422989
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]pyrrolidine
CID 82244186

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117407341) is 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is Oc1c2c(c(CC3CCCN3)c3c1OCC3)OCC2.
What is the InChIKey of 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is OJZDVHHZCLFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-11-4-7-18-14(11)12(8-9-2-1-5-16-9)10-3-6-19-15(10)13/h9,16-17H,1-8H2.
What are the key properties of 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 261.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117407341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).