3-thiophen-2-yloxypropane-1,2-diol

C7H10O3S — CID 13088133

IUPAC3-thiophen-2-yloxypropane-1,2-diol
SMILESOCC(O)COc1cccs1
InChIInChI=1S/C7H10O3S/c8-4-6(9)5-10-7-2-1-3-11-7/h1-3,6,8-9H,4-5H2
InChIKeyRDHGCRUCFCRVHX-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.48
Rot. Bonds4

About 3-thiophen-2-yloxypropane-1,2-diol

3-thiophen-2-yloxypropane-1,2-diol (PubChem CID 13088133) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-thiophen-2-yloxypropane-1,2-diol.

Molecular Properties

Compound Name3-thiophen-2-yloxypropane-1,2-diol
PubChem CID13088133
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name3-thiophen-2-yloxypropane-1,2-diol
SMILESOCC(O)COc1cccs1
InChIInChI=1S/C7H10O3S/c8-4-6(9)5-10-7-2-1-3-11-7/h1-3,6,8-9H,4-5H2
InChIKeyRDHGCRUCFCRVHX-UHFFFAOYSA-N
XLogP0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-2-yloxypropane-1,2-diol 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-thiophen-2-yloxypropane-1,2-diol?
The IUPAC name of 3-thiophen-2-yloxypropane-1,2-diol (CID 13088133) is 3-thiophen-2-yloxypropane-1,2-diol.
What is the SMILES notation for 3-thiophen-2-yloxypropane-1,2-diol?
The canonical SMILES for 3-thiophen-2-yloxypropane-1,2-diol is OCC(O)COc1cccs1.
What is the InChIKey of 3-thiophen-2-yloxypropane-1,2-diol?
The InChIKey is RDHGCRUCFCRVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c8-4-6(9)5-10-7-2-1-3-11-7/h1-3,6,8-9H,4-5H2.
What are the key properties of 3-thiophen-2-yloxypropane-1,2-diol?
3-thiophen-2-yloxypropane-1,2-diol has a molecular weight of 174.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yloxypropane-1,2-diol is sourced from PubChem (CID 13088133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).