5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid

C11H16O5S — CID 63987361

IUPAC5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
SMILESCC(C)OCC(O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O5S/c1-7(2)15-5-8(12)6-17-10-4-3-9(16-10)11(13)14/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCUFOMZLGOHLCPK-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.86
Rot. Bonds7

About 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid

5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid (PubChem CID 63987361) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
PubChem CID63987361
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
SMILESCC(C)OCC(O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O5S/c1-7(2)15-5-8(12)6-17-10-4-3-9(16-10)11(13)14/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCUFOMZLGOHLCPK-UHFFFAOYSA-N
XLogP1.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid
CID 63943925
5-(3-hydroxy-2-methylpropyl)sulfanylfuran-2-carboxylic acid
CID 66104193
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941429
5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941798
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670816
5-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941977
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942948
2-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 63987360
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid (CID 63987361) is 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid is CC(C)OCC(O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid?
The InChIKey is CUFOMZLGOHLCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-7(2)15-5-8(12)6-17-10-4-3-9(16-10)11(13)14/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid?
5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63987361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).