2-(2-thiophen-2-ylethyl)cyclohexan-1-one

C12H16OS — CID 63773659

IUPAC2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCc1cccs1
InChIInChI=1S/C12H16OS/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h3,5,9-10H,1-2,4,6-8H2
InChIKeyYNGSAIPTIAURSI-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-thiophen-2-ylethyl)cyclohexan-1-one

2-(2-thiophen-2-ylethyl)cyclohexan-1-one (PubChem CID 63773659) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)cyclohexan-1-one
PubChem CID63773659
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCc1cccs1
InChIInChI=1S/C12H16OS/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h3,5,9-10H,1-2,4,6-8H2
InChIKeyYNGSAIPTIAURSI-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-thiophen-2-ylethyl)cyclohexan-1-one (CID 63773659) is 2-(2-thiophen-2-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)cyclohexan-1-one is O=C1CCCCC1CCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The InChIKey is YNGSAIPTIAURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h3,5,9-10H,1-2,4,6-8H2.
What are the key properties of 2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
2-(2-thiophen-2-ylethyl)cyclohexan-1-one has a molecular weight of 208.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 63773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).