[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol

C14H16O4 — CID 116986325

IUPAC[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol
SMILESOCC1(c2c3c(cc4c2OCC4)OCC3)COC1
InChIInChI=1S/C14H16O4/c15-6-14(7-16-8-14)12-10-2-4-17-11(10)5-9-1-3-18-13(9)12/h5,15H,1-4,6-8H2
InChIKeyQHTVSENMKGOLNP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.82
Rot. Bonds2

About [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol

[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol (PubChem CID 116986325) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol
PubChem CID116986325
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol
SMILESOCC1(c2c3c(cc4c2OCC4)OCC3)COC1
InChIInChI=1S/C14H16O4/c15-6-14(7-16-8-14)12-10-2-4-17-11(10)5-9-1-3-18-13(9)12/h5,15H,1-4,6-8H2
InChIKeyQHTVSENMKGOLNP-UHFFFAOYSA-N
XLogP0.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol (CID 116986325) is [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol is OCC1(c2c3c(cc4c2OCC4)OCC3)COC1.
What is the InChIKey of [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol?
The InChIKey is QHTVSENMKGOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-6-14(7-16-8-14)12-10-2-4-17-11(10)5-9-1-3-18-13(9)12/h5,15H,1-4,6-8H2.
What are the key properties of [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol?
[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol has a molecular weight of 248.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol is sourced from PubChem (CID 116986325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).