3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid

C14H14O5 — CID 116986324

IUPAC3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(c2c3c(cc4c2OCC4)OCC3)COC1
InChIInChI=1S/C14H14O5/c15-13(16)14(6-17-7-14)11-9-2-4-18-10(9)5-8-1-3-19-12(8)11/h5H,1-4,6-7H2,(H,15,16)
InChIKeyYVIOKXIWOLEMDR-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.91
Rot. Bonds2

About 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid

3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid (PubChem CID 116986324) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid
PubChem CID116986324
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(c2c3c(cc4c2OCC4)OCC3)COC1
InChIInChI=1S/C14H14O5/c15-13(16)14(6-17-7-14)11-9-2-4-18-10(9)5-8-1-3-19-12(8)11/h5H,1-4,6-7H2,(H,15,16)
InChIKeyYVIOKXIWOLEMDR-UHFFFAOYSA-N
XLogP0.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol
CID 116986325
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
2-(methylamino)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 116986338
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
CID 117373348
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropanecarboxamide
CID 113095385
4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 116986341
1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117409785

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid (CID 116986324) is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid is O=C(O)C1(c2c3c(cc4c2OCC4)OCC3)COC1.
What is the InChIKey of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid?
The InChIKey is YVIOKXIWOLEMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c15-13(16)14(6-17-7-14)11-9-2-4-18-10(9)5-8-1-3-19-12(8)11/h5H,1-4,6-7H2,(H,15,16).
What are the key properties of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid?
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.91, 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)oxetane-3-carboxylic acid is sourced from PubChem (CID 116986324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).