4-ethyl-1-thiophen-2-ylhexan-3-ol

C12H20OS — CID 65148531

IUPAC4-ethyl-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)C(O)CCc1cccs1
InChIInChI=1S/C12H20OS/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyILYFEPILNZBQOB-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.48
Rot. Bonds6

About 4-ethyl-1-thiophen-2-ylhexan-3-ol

4-ethyl-1-thiophen-2-ylhexan-3-ol (PubChem CID 65148531) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-ethyl-1-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-1-thiophen-2-ylhexan-3-ol
PubChem CID65148531
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-ethyl-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)C(O)CCc1cccs1
InChIInChI=1S/C12H20OS/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyILYFEPILNZBQOB-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
8-thiophen-2-yloctan-4-ol
CID 64516293
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 116752420

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-thiophen-2-ylhexan-3-ol?
The IUPAC name of 4-ethyl-1-thiophen-2-ylhexan-3-ol (CID 65148531) is 4-ethyl-1-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 4-ethyl-1-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 4-ethyl-1-thiophen-2-ylhexan-3-ol is CCC(CC)C(O)CCc1cccs1.
What is the InChIKey of 4-ethyl-1-thiophen-2-ylhexan-3-ol?
The InChIKey is ILYFEPILNZBQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3.
What are the key properties of 4-ethyl-1-thiophen-2-ylhexan-3-ol?
4-ethyl-1-thiophen-2-ylhexan-3-ol has a molecular weight of 212.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65148531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).