2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol

C11H18O2S — CID 79450472

IUPAC2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CCc1ccsc1
InChIInChI=1S/C11H18O2S/c1-2-11(8-12,9-13)5-3-10-4-6-14-7-10/h4,6-7,12-13H,2-3,5,8-9H2,1H3
InChIKeyGCOKKXIELSFHTM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.06
Rot. Bonds6

About 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol

2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol (PubChem CID 79450472) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
PubChem CID79450472
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CCc1ccsc1
InChIInChI=1S/C11H18O2S/c1-2-11(8-12,9-13)5-3-10-4-6-14-7-10/h4,6-7,12-13H,2-3,5,8-9H2,1H3
InChIKeyGCOKKXIELSFHTM-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(chloromethyl)-3-ethylpentyl]thiophene
CID 66034934
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
3-ethyl-1-thiophen-3-ylheptan-3-amine
CID 65020365
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
3-[3,3-bis(chloromethyl)-5-methylhexyl]thiophene
CID 79447206
azane;3-propylthiophene
CID 174446539
3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-(4-chlorophenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450489
2-(3-methylphenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450592
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol (CID 79450472) is 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol is CCC(CO)(CO)CCc1ccsc1.
What is the InChIKey of 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol?
The InChIKey is GCOKKXIELSFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-2-11(8-12,9-13)5-3-10-4-6-14-7-10/h4,6-7,12-13H,2-3,5,8-9H2,1H3.
What are the key properties of 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol?
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol has a molecular weight of 214.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol is sourced from PubChem (CID 79450472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).