3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid

C10H12O5S — CID 45122038

IUPAC3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
SMILESO=C(O)CCOCC1COc2cscc2O1
InChIInChI=1S/C10H12O5S/c11-10(12)1-2-13-3-7-4-14-8-5-16-6-9(8)15-7/h5-7H,1-4H2,(H,11,12)
InChIKeyUHOCXHRRKZQUHK-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.38
Rot. Bonds5

About 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid

3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid (PubChem CID 45122038) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
PubChem CID45122038
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
SMILESO=C(O)CCOCC1COc2cscc2O1
InChIInChI=1S/C10H12O5S/c11-10(12)1-2-13-3-7-4-14-8-5-16-6-9(8)15-7/h5-7H,1-4H2,(H,11,12)
InChIKeyUHOCXHRRKZQUHK-UHFFFAOYSA-N
XLogP1.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
CID 175163328
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
CID 20758010
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
CID 86096746
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
CID 20758025
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-2-sulfonic acid
CID 118522915
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butanoic acid
CID 84617965
CID 118522916
CID 118522916
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)pentane-2-sulfonic acid
CID 139489979
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745535

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid?
The IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid (CID 45122038) is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid?
The canonical SMILES for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid is O=C(O)CCOCC1COc2cscc2O1.
What is the InChIKey of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid?
The InChIKey is UHOCXHRRKZQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c11-10(12)1-2-13-3-7-4-14-8-5-16-6-9(8)15-7/h5-7H,1-4H2,(H,11,12).
What are the key properties of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid?
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid is sourced from PubChem (CID 45122038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).