2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol

C12H20O2S — CID 116711503

IUPAC2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
SMILESCCCC(OCC)C(O)c1csc(C)c1
InChIInChI=1S/C12H20O2S/c1-4-6-11(14-5-2)12(13)10-7-9(3)15-8-10/h7-8,11-13H,4-6H2,1-3H3
InChIKeyIMSBAXDAWFRPME-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.30
Rot. Bonds6

About 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol

2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol (PubChem CID 116711503) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
PubChem CID116711503
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
SMILESCCCC(OCC)C(O)c1csc(C)c1
InChIInChI=1S/C12H20O2S/c1-4-6-11(14-5-2)12(13)10-7-9(3)15-8-10/h7-8,11-13H,4-6H2,1-3H3
InChIKeyIMSBAXDAWFRPME-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethoxy-1-(5-methylthiophen-3-yl)pentyl]hydrazine
CID 105271529
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
2-ethoxy-1-(3-methylphenyl)pentan-1-ol
CID 116711307
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
CID 103459822
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
CID 116711399
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
CID 116711365
(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 105103909
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099648
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
CID 103456956

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol?
The IUPAC name of 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol (CID 116711503) is 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol?
The canonical SMILES for 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol is CCCC(OCC)C(O)c1csc(C)c1.
What is the InChIKey of 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol?
The InChIKey is IMSBAXDAWFRPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-4-6-11(14-5-2)12(13)10-7-9(3)15-8-10/h7-8,11-13H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol?
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol is sourced from PubChem (CID 116711503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).