3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol

C13H20OS — CID 79991182

IUPAC3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(c2sccc2C)C1
InChIInChI=1S/C13H20OS/c1-3-11-5-4-7-13(14,9-11)12-10(2)6-8-15-12/h6,8,11,14H,3-5,7,9H2,1-2H3
InChIKeyMJEJGAVMVDCYKI-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.84
Rot. Bonds2

About 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol

3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol (PubChem CID 79991182) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol
PubChem CID79991182
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(c2sccc2C)C1
InChIInChI=1S/C13H20OS/c1-3-11-5-4-7-13(14,9-11)12-10(2)6-8-15-12/h6,8,11,14H,3-5,7,9H2,1-2H3
InChIKeyMJEJGAVMVDCYKI-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol (CID 79991182) is 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol is CCC1CCCC(O)(c2sccc2C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol?
The InChIKey is MJEJGAVMVDCYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-3-11-5-4-7-13(14,9-11)12-10(2)6-8-15-12/h6,8,11,14H,3-5,7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol?
3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 79991182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).