5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid

C11H10O4S — CID 106947312

IUPAC5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)Cc2ccsc2)o1
InChIInChI=1S/C11H10O4S/c12-8(5-7-3-4-16-6-7)9-1-2-10(15-9)11(13)14/h1-4,6,8,12H,5H2,(H,13,14)
InChIKeyVZORCKPPSCWBOI-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.32
Rot. Bonds4

About 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid

5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid (PubChem CID 106947312) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
PubChem CID106947312
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)Cc2ccsc2)o1
InChIInChI=1S/C11H10O4S/c12-8(5-7-3-4-16-6-7)9-1-2-10(15-9)11(13)14/h1-4,6,8,12H,5H2,(H,13,14)
InChIKeyVZORCKPPSCWBOI-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
CID 154751955
5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid
CID 106947245
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
CID 66350799
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
3-amino-4-thiophen-3-ylbutanoic acid;hydrochloride
CID 53397987

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid (CID 106947312) is 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(O)Cc2ccsc2)o1.
What is the InChIKey of 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid?
The InChIKey is VZORCKPPSCWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c12-8(5-7-3-4-16-6-7)9-1-2-10(15-9)11(13)14/h1-4,6,8,12H,5H2,(H,13,14).
What are the key properties of 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid?
5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid is sourced from PubChem (CID 106947312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).