5-hydroxy-1-thiophen-2-ylpentan-1-one

C9H12O2S — CID 102168662

IUPAC5-hydroxy-1-thiophen-2-ylpentan-1-one
SMILESO=C(CCCCO)c1cccs1
InChIInChI=1S/C9H12O2S/c10-6-2-1-4-8(11)9-5-3-7-12-9/h3,5,7,10H,1-2,4,6H2
InChIKeyTUPAQFFTMAKROD-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.09
Rot. Bonds5

About 5-hydroxy-1-thiophen-2-ylpentan-1-one

5-hydroxy-1-thiophen-2-ylpentan-1-one (PubChem CID 102168662) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-hydroxy-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-thiophen-2-ylpentan-1-one
PubChem CID102168662
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-hydroxy-1-thiophen-2-ylpentan-1-one
SMILESO=C(CCCCO)c1cccs1
InChIInChI=1S/C9H12O2S/c10-6-2-1-4-8(11)9-5-3-7-12-9/h3,5,7,10H,1-2,4,6H2
InChIKeyTUPAQFFTMAKROD-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 5-hydroxy-1-thiophen-2-ylpentan-1-one (CID 102168662) is 5-hydroxy-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 5-hydroxy-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 5-hydroxy-1-thiophen-2-ylpentan-1-one is O=C(CCCCO)c1cccs1.
What is the InChIKey of 5-hydroxy-1-thiophen-2-ylpentan-1-one?
The InChIKey is TUPAQFFTMAKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-6-2-1-4-8(11)9-5-3-7-12-9/h3,5,7,10H,1-2,4,6H2.
What are the key properties of 5-hydroxy-1-thiophen-2-ylpentan-1-one?
5-hydroxy-1-thiophen-2-ylpentan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 102168662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).