2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid

C8H8O5 — CID 91662907

IUPAC2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid
SMILESCOC(=O)Cc1occc1C(=O)O
InChIInChI=1S/C8H8O5/c1-12-7(9)4-6-5(8(10)11)2-3-13-6/h2-3H,4H2,1H3,(H,10,11)
InChIKeyPJSWXHMSYOEMNI-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid

2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid (PubChem CID 91662907) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid
PubChem CID91662907
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid
SMILESCOC(=O)Cc1occc1C(=O)O
InChIInChI=1S/C8H8O5/c1-12-7(9)4-6-5(8(10)11)2-3-13-6/h2-3H,4H2,1H3,(H,10,11)
InChIKeyPJSWXHMSYOEMNI-UHFFFAOYSA-N
XLogP0.69
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid (CID 91662907) is 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid is COC(=O)Cc1occc1C(=O)O.
What is the InChIKey of 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid?
The InChIKey is PJSWXHMSYOEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-12-7(9)4-6-5(8(10)11)2-3-13-6/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid?
2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-oxoethyl)furan-3-carboxylic acid is sourced from PubChem (CID 91662907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).