3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid

C10H12O4S — CID 63336058

IUPAC3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC1CCOC1
InChIInChI=1S/C10H12O4S/c11-10(12)9-8(2-4-15-9)14-6-7-1-3-13-5-7/h2,4,7H,1,3,5-6H2,(H,11,12)
InChIKeyRFZLDCOROOZMCV-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.86
Rot. Bonds4

About 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid

3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid (PubChem CID 63336058) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid
PubChem CID63336058
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCC1CCOC1
InChIInChI=1S/C10H12O4S/c11-10(12)9-8(2-4-15-9)14-6-7-1-3-13-5-7/h2,4,7H,1,3,5-6H2,(H,11,12)
InChIKeyRFZLDCOROOZMCV-UHFFFAOYSA-N
XLogP1.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805
6-(oxolan-3-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 55012861
3-(oxolan-3-yloxymethyl)thiophene-2-carboxylic acid
CID 63641042
2-ethylsulfanyl-6-(oxolan-3-ylmethoxy)benzoic acid
CID 113386253
3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336579
3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
CID 62703281
2-chloro-5-(oxolan-3-ylmethoxy)benzoic acid
CID 106500594
4-methyl-5-[2-(oxolan-3-ylmethoxy)phenyl]thiophene-2-carboxylic acid
CID 167945928
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid (CID 63336058) is 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid?
The InChIKey is RFZLDCOROOZMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c11-10(12)9-8(2-4-15-9)14-6-7-1-3-13-5-7/h2,4,7H,1,3,5-6H2,(H,11,12).
What are the key properties of 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid?
3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 63336058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).