3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol

C10H18O2S — CID 142755819

IUPAC3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol
SMILESOCCCC1(CCCO)C=CSC1
InChIInChI=1S/C10H18O2S/c11-6-1-3-10(4-2-7-12)5-8-13-9-10/h5,8,11-12H,1-4,6-7,9H2
InChIKeyZUGLTWPIUKYLQF-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.78
Rot. Bonds6

About 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol

3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol (PubChem CID 142755819) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol
PubChem CID142755819
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol
SMILESOCCCC1(CCCO)C=CSC1
InChIInChI=1S/C10H18O2S/c11-6-1-3-10(4-2-7-12)5-8-13-9-10/h5,8,11-12H,1-4,6-7,9H2
InChIKeyZUGLTWPIUKYLQF-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol (CID 142755819) is 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol is OCCCC1(CCCO)C=CSC1.
What is the InChIKey of 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol?
The InChIKey is ZUGLTWPIUKYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c11-6-1-3-10(4-2-7-12)5-8-13-9-10/h5,8,11-12H,1-4,6-7,9H2.
What are the key properties of 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol?
3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol has a molecular weight of 202.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol is sourced from PubChem (CID 142755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).