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

C10H8O4S — CID 106945921

IUPAC5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccsc2)o1
InChIInChI=1S/C10H8O4S/c11-9(6-3-4-15-5-6)7-1-2-8(14-7)10(12)13/h1-5,9,11H,(H,12,13)
InChIKeyRPSBVWBDGYUCDL-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.12
Rot. Bonds3

About 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid

5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 106945921) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
PubChem CID106945921
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccsc2)o1
InChIInChI=1S/C10H8O4S/c11-9(6-3-4-15-5-6)7-1-2-8(14-7)10(12)13/h1-5,9,11H,(H,12,13)
InChIKeyRPSBVWBDGYUCDL-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

5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
CID 106947312
(5-bromofuran-2-yl)-thiophen-3-ylmethanol
CID 65099554
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
5-[hydroxy-(4-methylsulfonylphenyl)methyl]furan-2-carboxylic acid
CID 106947214
5-[(3-chloro-4-methylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946508
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
CID 106947311
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid (CID 106945921) is 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)c2ccsc2)o1.
What is the InChIKey of 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is RPSBVWBDGYUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-9(6-3-4-15-5-6)7-1-2-8(14-7)10(12)13/h1-5,9,11H,(H,12,13).
What are the key properties of 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid?
5-[hydroxy(thiophen-3-yl)methyl]furan-2-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 5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106945921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).