1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one

C15H22OS — CID 105104895

IUPAC1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
SMILESCC1CCC(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C15H22OS/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyUWUROOQMNHABQR-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one

1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105104895) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
PubChem CID105104895
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
SMILESCC1CCC(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C15H22OS/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyUWUROOQMNHABQR-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95355874
6-thiophen-2-ylhexanamide
CID 137320292
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutan-1-one
CID 105115445
2-[cyclopropyl(6-thiophen-2-ylhexanoyl)amino]propanoic acid
CID 119203403

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one (CID 105104895) is 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one is CC1CCC(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is UWUROOQMNHABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h3,5,11-13H,2,4,6-10H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one?
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 250.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105104895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).