1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol

C9H13ClO2S — CID 105119763

IUPAC1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClO2S/c1-2-12-6-5-7(11)8-3-4-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyZWELGPWHAOKDBX-UHFFFAOYSA-N
MW220.72 g/mol
LogP2.86
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol

1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol (PubChem CID 105119763) has the molecular formula C9H13ClO2S and a molecular weight of 220.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
PubChem CID105119763
Molecular FormulaC9H13ClO2S
Molecular Weight220.72 g/mol
Exact Mass220.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClO2S/c1-2-12-6-5-7(11)8-3-4-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyZWELGPWHAOKDBX-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 52.86
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

1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
[1-(5-chlorothiophen-2-yl)-3-propoxypropyl]hydrazine
CID 105328204
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol (CID 105119763) is 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol is CCOCCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol?
The InChIKey is ZWELGPWHAOKDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2S/c1-2-12-6-5-7(11)8-3-4-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol?
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol has a molecular weight of 220.72 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol is sourced from PubChem (CID 105119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).