2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid

C13H10O6 — CID 117409627

IUPAC2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESCOc1c2ccoc2c(C(O)C(=O)O)c2ccoc12
InChIInChI=1S/C13H10O6/c1-17-11-7-3-5-18-10(7)8(9(14)13(15)16)6-2-4-19-12(6)11/h2-5,9,14H,1H3,(H,15,16)
InChIKeyJMEUWSQGHXRXRS-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.31
Rot. Bonds3

About 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid

2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid (PubChem CID 117409627) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
PubChem CID117409627
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESCOc1c2ccoc2c(C(O)C(=O)O)c2ccoc12
InChIInChI=1S/C13H10O6/c1-17-11-7-3-5-18-10(7)8(9(14)13(15)16)6-2-4-19-12(6)11/h2-5,9,14H,1H3,(H,15,16)
InChIKeyJMEUWSQGHXRXRS-UHFFFAOYSA-N
XLogP2.31
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid (CID 117409627) is 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid is COc1c2ccoc2c(C(O)C(=O)O)c2ccoc12.
What is the InChIKey of 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The InChIKey is JMEUWSQGHXRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c1-17-11-7-3-5-18-10(7)8(9(14)13(15)16)6-2-4-19-12(6)11/h2-5,9,14H,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid has a molecular weight of 262.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid is sourced from PubChem (CID 117409627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).