3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one

C11H16O2S — CID 103343894

IUPAC3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one
SMILESCC(=O)C(CCO)CCc1cccs1
InChIInChI=1S/C11H16O2S/c1-9(13)10(6-7-12)4-5-11-3-2-8-14-11/h2-3,8,10,12H,4-7H2,1H3
InChIKeyDEISMNHWSXCHBW-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.27
Rot. Bonds6

About 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one

3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one (PubChem CID 103343894) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one
PubChem CID103343894
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one
SMILESCC(=O)C(CCO)CCc1cccs1
InChIInChI=1S/C11H16O2S/c1-9(13)10(6-7-12)4-5-11-3-2-8-14-11/h2-3,8,10,12H,4-7H2,1H3
InChIKeyDEISMNHWSXCHBW-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-thiophen-2-ylhexan-2-one
CID 64719614
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
3-thiophen-2-ylpropan-1-ol
CID 13109866
pentane;2-thiophen-2-ylethanol
CID 70273807
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
(2R)-4-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005739
10-thiophen-2-yldecan-1-ol
CID 22992199
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one (CID 103343894) is 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one is CC(=O)C(CCO)CCc1cccs1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one?
The InChIKey is DEISMNHWSXCHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9(13)10(6-7-12)4-5-11-3-2-8-14-11/h2-3,8,10,12H,4-7H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one?
3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one has a molecular weight of 212.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 103343894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).