3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

C13H20O2S — CID 106873818

IUPAC3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(CCc2ccsc2)C1
InChIInChI=1S/C13H20O2S/c1-15-12-3-2-6-13(14,9-12)7-4-11-5-8-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyFRWLYBMPXIMGGR-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.00
Rot. Bonds4

About 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (PubChem CID 106873818) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
PubChem CID106873818
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(CCc2ccsc2)C1
InChIInChI=1S/C13H20O2S/c1-15-12-3-2-6-13(14,9-12)7-4-11-5-8-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyFRWLYBMPXIMGGR-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (CID 106873818) is 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is COC1CCCC(O)(CCc2ccsc2)C1.
What is the InChIKey of 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The InChIKey is FRWLYBMPXIMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-15-12-3-2-6-13(14,9-12)7-4-11-5-8-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3.
What are the key properties of 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 106873818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).