2-(1-thiophen-3-ylethyl)cyclohexan-1-one

C12H16OS — CID 135025277

IUPAC2-(1-thiophen-3-ylethyl)cyclohexan-1-one
SMILESCC(c1ccsc1)C1CCCCC1=O
InChIInChI=1S/C12H16OS/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h6-9,11H,2-5H2,1H3
InChIKeyJQKFCUTUMBSSPS-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.61
Rot. Bonds2

About 2-(1-thiophen-3-ylethyl)cyclohexan-1-one

2-(1-thiophen-3-ylethyl)cyclohexan-1-one (PubChem CID 135025277) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-thiophen-3-ylethyl)cyclohexan-1-one
PubChem CID135025277
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(1-thiophen-3-ylethyl)cyclohexan-1-one
SMILESCC(c1ccsc1)C1CCCCC1=O
InChIInChI=1S/C12H16OS/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h6-9,11H,2-5H2,1H3
InChIKeyJQKFCUTUMBSSPS-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
CID 10749429
3-propan-2-yl-2-(1-thiophen-3-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923833
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
CID 62841900
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2S,3S)-2-methyl-1-(2-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122115966
(2S)-2-[(R)-nitro(phenyl)methyl]cyclohexan-1-one
CID 102034821
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylethyl)cyclohexan-1-one?
The IUPAC name of 2-(1-thiophen-3-ylethyl)cyclohexan-1-one (CID 135025277) is 2-(1-thiophen-3-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-thiophen-3-ylethyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-thiophen-3-ylethyl)cyclohexan-1-one is CC(c1ccsc1)C1CCCCC1=O.
What is the InChIKey of 2-(1-thiophen-3-ylethyl)cyclohexan-1-one?
The InChIKey is JQKFCUTUMBSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h6-9,11H,2-5H2,1H3.
What are the key properties of 2-(1-thiophen-3-ylethyl)cyclohexan-1-one?
2-(1-thiophen-3-ylethyl)cyclohexan-1-one has a molecular weight of 208.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 135025277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).