1-cyclohexyl-4-thiophen-2-ylbutan-2-one

C14H20OS — CID 114973276

IUPAC1-cyclohexyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CC1CCCCC1
InChIInChI=1S/C14H20OS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2
InChIKeyYTHROKHSYZDLJV-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.22
Rot. Bonds5

About 1-cyclohexyl-4-thiophen-2-ylbutan-2-one

1-cyclohexyl-4-thiophen-2-ylbutan-2-one (PubChem CID 114973276) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-thiophen-2-ylbutan-2-one
PubChem CID114973276
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-cyclohexyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CC1CCCCC1
InChIInChI=1S/C14H20OS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2
InChIKeyYTHROKHSYZDLJV-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
CID 103167854
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
2-(4-cyclohexylbutyl)thiophene
CID 142713613
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide
CID 111351178
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 24869731
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-cyclohexyl-4-thiophen-2-ylbutan-2-one (CID 114973276) is 1-cyclohexyl-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-cyclohexyl-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-thiophen-2-ylbutan-2-one?
The InChIKey is YTHROKHSYZDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2.
What are the key properties of 1-cyclohexyl-4-thiophen-2-ylbutan-2-one?
1-cyclohexyl-4-thiophen-2-ylbutan-2-one has a molecular weight of 236.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 114973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).