5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid

C9H6O4S — CID 112546100

IUPAC5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccco2)cc1O
InChIInChI=1S/C9H6O4S/c10-5-4-7(6-2-1-3-13-6)14-8(5)9(11)12/h1-4,10H,(H,11,12)
InChIKeyCXWKNSBTHQSIFI-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.41
Rot. Bonds2

About 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid

5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid (PubChem CID 112546100) has the molecular formula C9H6O4S and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid
PubChem CID112546100
Molecular FormulaC9H6O4S
Molecular Weight210.21 g/mol
Exact Mass210.00
IUPAC Name5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccco2)cc1O
InChIInChI=1S/C9H6O4S/c10-5-4-7(6-2-1-3-13-6)14-8(5)9(11)12/h1-4,10H,(H,11,12)
InChIKeyCXWKNSBTHQSIFI-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
5-(furan-2-yl)thiophene-2-carboxylate
CID 2052620
5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 82126671
[6-(furan-2-yl)-4-hydroxy-2H-thieno[2,3-e]thiazin-3-yl] acetate
CID 174366558
2-(furan-2-yl)thiochromen-4-one
CID 154715436
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
(Z)-2-cyano-3-[5-(furan-2-yl)thieno[3,2-b]thiophen-2-yl]prop-2-enoic acid
CID 177492561
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
3-hydroxypyran-2-one;iron
CID 67120749
3-fluoro-2-(furan-2-yl)benzoic acid
CID 168524438
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid (CID 112546100) is 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccco2)cc1O.
What is the InChIKey of 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid?
The InChIKey is CXWKNSBTHQSIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O4S/c10-5-4-7(6-2-1-3-13-6)14-8(5)9(11)12/h1-4,10H,(H,11,12).
What are the key properties of 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid?
5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid is sourced from PubChem (CID 112546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).