2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol

C10H14O3S — CID 130283508

IUPAC2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol
SMILESOCC1CC(O)CC(c2cccs2)O1
InChIInChI=1S/C10H14O3S/c11-6-8-4-7(12)5-9(13-8)10-2-1-3-14-10/h1-3,7-9,11-12H,4-6H2
InChIKeyQHWPMAAUZLPATA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.32
Rot. Bonds2

About 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol

2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol (PubChem CID 130283508) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol
PubChem CID130283508
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol
SMILESOCC1CC(O)CC(c2cccs2)O1
InChIInChI=1S/C10H14O3S/c11-6-8-4-7(12)5-9(13-8)10-2-1-3-14-10/h1-3,7-9,11-12H,4-6H2
InChIKeyQHWPMAAUZLPATA-UHFFFAOYSA-N
XLogP1.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol (CID 130283508) is 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol is OCC1CC(O)CC(c2cccs2)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol?
The InChIKey is QHWPMAAUZLPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c11-6-8-4-7(12)5-9(13-8)10-2-1-3-14-10/h1-3,7-9,11-12H,4-6H2.
What are the key properties of 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol?
2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol has a molecular weight of 214.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-thiophen-2-yloxan-4-ol is sourced from PubChem (CID 130283508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).