4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one

C15H22OS — CID 63774381

IUPAC4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CCc2cccs2)C1
InChIInChI=1S/C15H22OS/c1-11(2)12-6-8-15(16)13(10-12)5-7-14-4-3-9-17-14/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyOWPSLKYXPNLQHP-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.32
Rot. Bonds4

About 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one

4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one (PubChem CID 63774381) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
PubChem CID63774381
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CCc2cccs2)C1
InChIInChI=1S/C15H22OS/c1-11(2)12-6-8-15(16)13(10-12)5-7-14-4-3-9-17-14/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyOWPSLKYXPNLQHP-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774196
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-one
CID 63399886
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 104679380
2-(2-hydroxy-2-phenylethyl)-4-propan-2-ylcyclohexan-1-one
CID 79417162
2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 63400278
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The IUPAC name of 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one (CID 63774381) is 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The canonical SMILES for 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one is CC(C)C1CCC(=O)C(CCc2cccs2)C1.
What is the InChIKey of 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The InChIKey is OWPSLKYXPNLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11(2)12-6-8-15(16)13(10-12)5-7-14-4-3-9-17-14/h3-4,9,11-13H,5-8,10H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one has a molecular weight of 250.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 63774381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).