2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid

C10H8O4S — CID 107432097

IUPAC2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1ccco1
InChIInChI=1S/C10H8O4S/c11-8(7-2-1-4-14-7)9-6(10(12)13)3-5-15-9/h1-5,8,11H,(H,12,13)
InChIKeyYIDMZWJPSVIUMU-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.12
Rot. Bonds3

About 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid

2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid (PubChem CID 107432097) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
PubChem CID107432097
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1ccco1
InChIInChI=1S/C10H8O4S/c11-8(7-2-1-4-14-7)9-6(10(12)13)3-5-15-9/h1-5,8,11H,(H,12,13)
InChIKeyYIDMZWJPSVIUMU-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromofuran-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432708
furan-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101827
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 107432176
2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432484
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432406
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid
CID 107432058
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
CID 154602976
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432637
2-(furan-2-yl)propanedioic acid
CID 19790856
2-[2-(tert-butylamino)-1-hydroxyethyl]thiophene-3-carboxylic acid
CID 107446443
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid (CID 107432097) is 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1C(O)c1ccco1.
What is the InChIKey of 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid?
The InChIKey is YIDMZWJPSVIUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-8(7-2-1-4-14-7)9-6(10(12)13)3-5-15-9/h1-5,8,11H,(H,12,13).
What are the key properties of 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid?
2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).