ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol

C13H22OS — CID 142025603

IUPACethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESCC.CC1CCC(O)(c2ccsc2)CC1
InChIInChI=1S/C11H16OS.C2H6/c1-9-2-5-11(12,6-3-9)10-4-7-13-8-10;1-2/h4,7-9,12H,2-3,5-6H2,1H3;1-2H3
InChIKeyBMXSGIQFTVCMQI-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.17
Rot. Bonds1

About ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol

ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol (PubChem CID 142025603) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol
PubChem CID142025603
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Nameethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol
SMILESCC.CC1CCC(O)(c2ccsc2)CC1
InChIInChI=1S/C11H16OS.C2H6/c1-9-2-5-11(12,6-3-9)10-4-7-13-8-10;1-2/h4,7-9,12H,2-3,5-6H2,1H3;1-2H3
InChIKeyBMXSGIQFTVCMQI-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The IUPAC name of ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol (CID 142025603) is ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol.
What is the SMILES notation for ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The canonical SMILES for ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol is CC.CC1CCC(O)(c2ccsc2)CC1.
What is the InChIKey of ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol?
The InChIKey is BMXSGIQFTVCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS.C2H6/c1-9-2-5-11(12,6-3-9)10-4-7-13-8-10;1-2/h4,7-9,12H,2-3,5-6H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol?
ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol has a molecular weight of 226.38 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-thiophen-3-ylcyclohexan-1-ol is sourced from PubChem (CID 142025603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).