1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol

C13H20OS — CID 64749351

IUPAC1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
SMILESCC1CCC(C(C)(O)c2cccs2)CC1
InChIInChI=1S/C13H20OS/c1-10-5-7-11(8-6-10)13(2,14)12-4-3-9-15-12/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyRBSSKUWBKJFVBC-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol

1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol (PubChem CID 64749351) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
PubChem CID64749351
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
SMILESCC1CCC(C(C)(O)c2cccs2)CC1
InChIInChI=1S/C13H20OS/c1-10-5-7-11(8-6-10)13(2,14)12-4-3-9-15-12/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyRBSSKUWBKJFVBC-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol (CID 64749351) is 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol is CC1CCC(C(C)(O)c2cccs2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol?
The InChIKey is RBSSKUWBKJFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-10-5-7-11(8-6-10)13(2,14)12-4-3-9-15-12/h3-4,9-11,14H,5-8H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol?
1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol has a molecular weight of 224.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 64749351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).