5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid

C10H14O5S — CID 63943925

IUPAC5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid
SMILESCCOCC(O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O5S/c1-2-14-5-7(11)6-16-9-4-3-8(15-9)10(12)13/h3-4,7,11H,2,5-6H2,1H3,(H,12,13)
InChIKeyKWFYONIHJCJJFR-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.47
Rot. Bonds7

About 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid

5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid (PubChem CID 63943925) has the molecular formula C10H14O5S and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid
PubChem CID63943925
Molecular FormulaC10H14O5S
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid
SMILESCCOCC(O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O5S/c1-2-14-5-7(11)6-16-9-4-3-8(15-9)10(12)13/h3-4,7,11H,2,5-6H2,1H3,(H,12,13)
InChIKeyKWFYONIHJCJJFR-UHFFFAOYSA-N
XLogP1.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
CID 63987361
5-(3-hydroxy-2-methylpropyl)sulfanylfuran-2-carboxylic acid
CID 66104193
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
CID 62205149
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939
5-decylsulfanylfuran-2-carboxylic acid
CID 21327068
5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941798
N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941429
1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
CID 63933591

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid (CID 63943925) is 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid is CCOCC(O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid?
The InChIKey is KWFYONIHJCJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S/c1-2-14-5-7(11)6-16-9-4-3-8(15-9)10(12)13/h3-4,7,11H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid?
5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid has a molecular weight of 246.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-2-hydroxypropyl)sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63943925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).