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

C13H14O4 — CID 115010687

IUPAC3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
SMILESO=C(O)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C13H14O4/c14-12(15)2-1-10-9-4-6-16-11(9)7-8-3-5-17-13(8)10/h7H,1-6H2,(H,14,15)
InChIKeyUHJLALOBGVCCTQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.57
Rot. Bonds3

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

3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid (PubChem CID 115010687) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
PubChem CID115010687
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
SMILESO=C(O)CCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C13H14O4/c14-12(15)2-1-10-9-4-6-16-11(9)7-8-3-5-17-13(8)10/h7H,1-6H2,(H,14,15)
InChIKeyUHJLALOBGVCCTQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113096051
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113096077
N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide
CID 113096289
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
2,2,2-trifluoro-N-[(2S)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10639049
2,2,2-trifluoro-N-[(2R)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10543332

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The IUPAC name of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid (CID 115010687) is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The canonical SMILES for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid is O=C(O)CCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The InChIKey is UHJLALOBGVCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-12(15)2-1-10-9-4-6-16-11(9)7-8-3-5-17-13(8)10/h7H,1-6H2,(H,14,15).
What are the key properties of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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)propanoic acid is sourced from PubChem (CID 115010687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).