5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid

C11H14O5 — CID 79083632

IUPAC5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
SMILESCC(OC1CCOC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H14O5/c1-7(15-8-4-5-14-6-8)9-2-3-10(16-9)11(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13)
InChIKeyMVTICKFPTJTADH-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.84
Rot. Bonds4

About 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid

5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid (PubChem CID 79083632) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
PubChem CID79083632
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
SMILESCC(OC1CCOC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H14O5/c1-7(15-8-4-5-14-6-8)9-2-3-10(16-9)11(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13)
InChIKeyMVTICKFPTJTADH-UHFFFAOYSA-N
XLogP1.84
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(oxolan-3-yloxy)ethyl]benzamide
CID 154052713
5-[1-[methyl(oxan-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 79084182
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]furan-2-carboxylic acid
CID 79084540
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
CID 79083530

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid (CID 79083632) is 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid is CC(OC1CCOC1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid?
The InChIKey is MVTICKFPTJTADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-7(15-8-4-5-14-6-8)9-2-3-10(16-9)11(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid?
5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).