3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol

C5H8O3 — CID 169489127

IUPAC3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol
SMILES[2H]C([2H])([2H])OC1=CCOC1O
InChIInChI=1S/C5H8O3/c1-7-4-2-3-8-5(4)6/h2,5-6H,3H2,1H3/i1D3
InChIKeyJJSFVUYRUVSINO-FIBGUPNXSA-N
MW119.13 g/mol
LogP-0.13
Rot. Bonds2

About 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol

3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol (PubChem CID 169489127) has the molecular formula C5H8O3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol.

Molecular Properties

Compound Name3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol
PubChem CID169489127
Molecular FormulaC5H8O3
Molecular Weight119.13 g/mol
Exact Mass119.07
IUPAC Name3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol
SMILES[2H]C([2H])([2H])OC1=CCOC1O
InChIInChI=1S/C5H8O3/c1-7-4-2-3-8-5(4)6/h2,5-6H,3H2,1H3/i1D3
InChIKeyJJSFVUYRUVSINO-FIBGUPNXSA-N
XLogP-0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol?
The IUPAC name of 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol (CID 169489127) is 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol.
What is the SMILES notation for 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol?
The canonical SMILES for 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol is [2H]C([2H])([2H])OC1=CCOC1O.
What is the InChIKey of 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol?
The InChIKey is JJSFVUYRUVSINO-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H8O3/c1-7-4-2-3-8-5(4)6/h2,5-6H,3H2,1H3/i1D3.
What are the key properties of 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol?
3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol has a molecular weight of 119.13 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethoxy)-2,5-dihydrofuran-2-ol is sourced from PubChem (CID 169489127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).