2-(3-hydroxypropyl)thiophen-3-one

C7H10O2S — CID 150548341

IUPAC2-(3-hydroxypropyl)thiophen-3-one
SMILESO=C1C=CSC1CCCO
InChIInChI=1S/C7H10O2S/c8-4-1-2-7-6(9)3-5-10-7/h3,5,7-8H,1-2,4H2
InChIKeyIHIJIQIGUXBMDY-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.96
Rot. Bonds3

About 2-(3-hydroxypropyl)thiophen-3-one

2-(3-hydroxypropyl)thiophen-3-one (PubChem CID 150548341) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)thiophen-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)thiophen-3-one
PubChem CID150548341
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name2-(3-hydroxypropyl)thiophen-3-one
SMILESO=C1C=CSC1CCCO
InChIInChI=1S/C7H10O2S/c8-4-1-2-7-6(9)3-5-10-7/h3,5,7-8H,1-2,4H2
InChIKeyIHIJIQIGUXBMDY-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)thiophen-3-one?
The IUPAC name of 2-(3-hydroxypropyl)thiophen-3-one (CID 150548341) is 2-(3-hydroxypropyl)thiophen-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)thiophen-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)thiophen-3-one is O=C1C=CSC1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)thiophen-3-one?
The InChIKey is IHIJIQIGUXBMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c8-4-1-2-7-6(9)3-5-10-7/h3,5,7-8H,1-2,4H2.
What are the key properties of 2-(3-hydroxypropyl)thiophen-3-one?
2-(3-hydroxypropyl)thiophen-3-one has a molecular weight of 158.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)thiophen-3-one is sourced from PubChem (CID 150548341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).