4-methoxycarbonyl-5-methylfuran-2-carboxylic acid

C8H8O5 — CID 55212082

IUPAC4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C8H8O5/c1-4-5(8(11)12-2)3-6(13-4)7(9)10/h3H,1-2H3,(H,9,10)
InChIKeyHAVOWLIYILWFRJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.07
Rot. Bonds2

About 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid

4-methoxycarbonyl-5-methylfuran-2-carboxylic acid (PubChem CID 55212082) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
PubChem CID55212082
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C8H8O5/c1-4-5(8(11)12-2)3-6(13-4)7(9)10/h3H,1-2H3,(H,9,10)
InChIKeyHAVOWLIYILWFRJ-UHFFFAOYSA-N
XLogP1.07
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxycarbonyl-6,7-dimethyl-1-benzofuran-2-carboxylic acid
CID 141046316
3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid
CID 53405830
5-methyl-4-sulfanylfuran-2-carboxylic acid
CID 89383113
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
4-[[[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019842
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate
CID 103971136
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161
methyl 2-methyl-5-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoyl]furan-3-carboxylate
CID 125498132

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid (CID 55212082) is 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid is COC(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid?
The InChIKey is HAVOWLIYILWFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4-5(8(11)12-2)3-6(13-4)7(9)10/h3H,1-2H3,(H,9,10).
What are the key properties of 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid?
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 55212082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).