4-ethyl-1-thiophen-3-ylhexane-3,4-diol

C12H20O2S — CID 103449392

IUPAC4-ethyl-1-thiophen-3-ylhexane-3,4-diol
SMILESCCC(O)(CC)C(O)CCc1ccsc1
InChIInChI=1S/C12H20O2S/c1-3-12(14,4-2)11(13)6-5-10-7-8-15-9-10/h7-9,11,13-14H,3-6H2,1-2H3
InChIKeyZUULQGAKAIJEOZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.59
Rot. Bonds6

About 4-ethyl-1-thiophen-3-ylhexane-3,4-diol

4-ethyl-1-thiophen-3-ylhexane-3,4-diol (PubChem CID 103449392) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-ethyl-1-thiophen-3-ylhexane-3,4-diol.

Molecular Properties

Compound Name4-ethyl-1-thiophen-3-ylhexane-3,4-diol
PubChem CID103449392
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name4-ethyl-1-thiophen-3-ylhexane-3,4-diol
SMILESCCC(O)(CC)C(O)CCc1ccsc1
InChIInChI=1S/C12H20O2S/c1-3-12(14,4-2)11(13)6-5-10-7-8-15-9-10/h7-9,11,13-14H,3-6H2,1-2H3
InChIKeyZUULQGAKAIJEOZ-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112575293
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CID 115798450
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65132704
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
azane;3-propylthiophene
CID 174446539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-thiophen-3-ylhexane-3,4-diol?
The IUPAC name of 4-ethyl-1-thiophen-3-ylhexane-3,4-diol (CID 103449392) is 4-ethyl-1-thiophen-3-ylhexane-3,4-diol.
What is the SMILES notation for 4-ethyl-1-thiophen-3-ylhexane-3,4-diol?
The canonical SMILES for 4-ethyl-1-thiophen-3-ylhexane-3,4-diol is CCC(O)(CC)C(O)CCc1ccsc1.
What is the InChIKey of 4-ethyl-1-thiophen-3-ylhexane-3,4-diol?
The InChIKey is ZUULQGAKAIJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-3-12(14,4-2)11(13)6-5-10-7-8-15-9-10/h7-9,11,13-14H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-1-thiophen-3-ylhexane-3,4-diol?
4-ethyl-1-thiophen-3-ylhexane-3,4-diol has a molecular weight of 228.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-thiophen-3-ylhexane-3,4-diol is sourced from PubChem (CID 103449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).