5-(2-propoxyacetyl)furan-2-carboxylic acid

C10H12O5 — CID 107944894

IUPAC5-(2-propoxyacetyl)furan-2-carboxylic acid
SMILESCCCOCC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O5/c1-2-5-14-6-7(11)8-3-4-9(15-8)10(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyCAOZZUPPJAXMIU-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.59
Rot. Bonds6

About 5-(2-propoxyacetyl)furan-2-carboxylic acid

5-(2-propoxyacetyl)furan-2-carboxylic acid (PubChem CID 107944894) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-(2-propoxyacetyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-propoxyacetyl)furan-2-carboxylic acid
PubChem CID107944894
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name5-(2-propoxyacetyl)furan-2-carboxylic acid
SMILESCCCOCC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12O5/c1-2-5-14-6-7(11)8-3-4-9(15-8)10(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyCAOZZUPPJAXMIU-UHFFFAOYSA-N
XLogP1.59
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromofuran-2-yl)-2-propoxyethanone
CID 115783145
4-(2-propoxyacetyl)benzoic acid
CID 57076032
5-pentanoylfuran-2-carboxylic acid
CID 97034823
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
1-(4-tert-butylphenyl)-2-propoxyethanone
CID 62548710
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyacetyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-propoxyacetyl)furan-2-carboxylic acid (CID 107944894) is 5-(2-propoxyacetyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-propoxyacetyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-propoxyacetyl)furan-2-carboxylic acid is CCCOCC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-propoxyacetyl)furan-2-carboxylic acid?
The InChIKey is CAOZZUPPJAXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-5-14-6-7(11)8-3-4-9(15-8)10(12)13/h3-4H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 5-(2-propoxyacetyl)furan-2-carboxylic acid?
5-(2-propoxyacetyl)furan-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyacetyl)furan-2-carboxylic acid is sourced from PubChem (CID 107944894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).