2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid

C10H12O5 — CID 67511171

IUPAC2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid
SMILESCCOC(=O)Cc1occ(C)c1C(=O)O
InChIInChI=1S/C10H12O5/c1-3-14-8(11)4-7-9(10(12)13)6(2)5-15-7/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyBQCASCFOBFEPRV-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid (PubChem CID 67511171) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid
PubChem CID67511171
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid
SMILESCCOC(=O)Cc1occ(C)c1C(=O)O
InChIInChI=1S/C10H12O5/c1-3-14-8(11)4-7-9(10(12)13)6(2)5-15-7/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyBQCASCFOBFEPRV-UHFFFAOYSA-N
XLogP1.39
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4,5-bis(2-ethoxy-2-oxoethyl)furan-3-yl]acetate
CID 100954074
2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
[3-ethoxycarbonyl-4-(2-ethoxy-2-oxoethyl)furan-2-yl]methyl-triphenylphosphanium
CID 11974657
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-phenylacetate
CID 7590
ethyl 2-(3-nonylfuran-2-yl)acetate
CID 11482904
ethyl 2-(3-hexylfuran-2-yl)acetate
CID 11149114
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
CID 55212087
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(5-iodo-6-methyl-1-benzofuran-3-yl)acetate
CID 161350114

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid (CID 67511171) is 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid is CCOC(=O)Cc1occ(C)c1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid?
The InChIKey is BQCASCFOBFEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-14-8(11)4-7-9(10(12)13)6(2)5-15-7/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid is sourced from PubChem (CID 67511171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).