2-ethoxy-1-thiophen-2-ylpropan-1-ol

C9H14O2S — CID 64541559

IUPAC2-ethoxy-1-thiophen-2-ylpropan-1-ol
SMILESCCOC(C)C(O)c1cccs1
InChIInChI=1S/C9H14O2S/c1-3-11-7(2)9(10)8-5-4-6-12-8/h4-7,9-10H,3H2,1-2H3
InChIKeyMFQJLWQEQOAINC-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.21
Rot. Bonds4

About 2-ethoxy-1-thiophen-2-ylpropan-1-ol

2-ethoxy-1-thiophen-2-ylpropan-1-ol (PubChem CID 64541559) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-ethoxy-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-thiophen-2-ylpropan-1-ol
PubChem CID64541559
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-ethoxy-1-thiophen-2-ylpropan-1-ol
SMILESCCOC(C)C(O)c1cccs1
InChIInChI=1S/C9H14O2S/c1-3-11-7(2)9(10)8-5-4-6-12-8/h4-7,9-10H,3H2,1-2H3
InChIKeyMFQJLWQEQOAINC-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 64534607
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
(2-ethoxy-3-methyl-1-thiophen-2-ylbutyl)hydrazine
CID 105272371
2-propan-2-ylthiophene
CID 178128598

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-ethoxy-1-thiophen-2-ylpropan-1-ol (CID 64541559) is 2-ethoxy-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-ethoxy-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-ethoxy-1-thiophen-2-ylpropan-1-ol is CCOC(C)C(O)c1cccs1.
What is the InChIKey of 2-ethoxy-1-thiophen-2-ylpropan-1-ol?
The InChIKey is MFQJLWQEQOAINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-3-11-7(2)9(10)8-5-4-6-12-8/h4-7,9-10H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-thiophen-2-ylpropan-1-ol?
2-ethoxy-1-thiophen-2-ylpropan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 64541559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).