3-methyl-1-thiophen-3-ylcyclohexan-1-ol

C11H16OS — CID 13245937

IUPAC3-methyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2ccsc2)C1
InChIInChI=1S/C11H16OS/c1-9-3-2-5-11(12,7-9)10-4-6-13-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyUGNSVQRMIQFAIW-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.15
Rot. Bonds1

About 3-methyl-1-thiophen-3-ylcyclohexan-1-ol

3-methyl-1-thiophen-3-ylcyclohexan-1-ol (PubChem CID 13245937) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 3-methyl-1-thiophen-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-thiophen-3-ylcyclohexan-1-ol
PubChem CID13245937
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name3-methyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2ccsc2)C1
InChIInChI=1S/C11H16OS/c1-9-3-2-5-11(12,7-9)10-4-6-13-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyUGNSVQRMIQFAIW-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The IUPAC name of 3-methyl-1-thiophen-3-ylcyclohexan-1-ol (CID 13245937) is 3-methyl-1-thiophen-3-ylcyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-thiophen-3-ylcyclohexan-1-ol is CC1CCCC(O)(c2ccsc2)C1.
What is the InChIKey of 3-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The InChIKey is UGNSVQRMIQFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-3-2-5-11(12,7-9)10-4-6-13-8-10/h4,6,8-9,12H,2-3,5,7H2,1H3.
What are the key properties of 3-methyl-1-thiophen-3-ylcyclohexan-1-ol?
3-methyl-1-thiophen-3-ylcyclohexan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-3-ylcyclohexan-1-ol is sourced from PubChem (CID 13245937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).