5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid

C12H12O4S — CID 62268855

IUPAC5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(COCCc2cccs2)c1
InChIInChI=1S/C12H12O4S/c13-12(14)9-6-10(16-7-9)8-15-4-3-11-2-1-5-17-11/h1-2,5-7H,3-4,8H2,(H,13,14)
InChIKeyLLQWUAWTKAKTDS-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.80
Rot. Bonds6

About 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid

5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid (PubChem CID 62268855) has the molecular formula C12H12O4S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
PubChem CID62268855
Molecular FormulaC12H12O4S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(COCCc2cccs2)c1
InChIInChI=1S/C12H12O4S/c13-12(14)9-6-10(16-7-9)8-15-4-3-11-2-1-5-17-11/h1-2,5-7H,3-4,8H2,(H,13,14)
InChIKeyLLQWUAWTKAKTDS-UHFFFAOYSA-N
XLogP2.80
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.80
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

N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
CID 107881207
5-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293795
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
CID 62269033
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-thiophen-2-ylfuran-3-carboxylic acid
CID 127019923
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid (CID 62268855) is 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid is O=C(O)c1coc(COCCc2cccs2)c1.
What is the InChIKey of 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid?
The InChIKey is LLQWUAWTKAKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S/c13-12(14)9-6-10(16-7-9)8-15-4-3-11-2-1-5-17-11/h1-2,5-7H,3-4,8H2,(H,13,14).
What are the key properties of 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid?
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid is sourced from PubChem (CID 62268855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).