2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone

C15H20OS — CID 103450946

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCCc1ccc(CC(=O)C2=CCC(C)CC2)s1
InChIInChI=1S/C15H20OS/c1-3-13-8-9-14(17-13)10-15(16)12-6-4-11(2)5-7-12/h6,8-9,11H,3-5,7,10H2,1-2H3
InChIKeySCMYPJUQYDKDPQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone (PubChem CID 103450946) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
PubChem CID103450946
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCCc1ccc(CC(=O)C2=CCC(C)CC2)s1
InChIInChI=1S/C15H20OS/c1-3-13-8-9-14(17-13)10-15(16)12-6-4-11(2)5-7-12/h6,8-9,11H,3-5,7,10H2,1-2H3
InChIKeySCMYPJUQYDKDPQ-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451073
2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451249
2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451060
3-methyl-1-(4-methylcyclohexen-1-yl)but-3-en-1-one
CID 103451253
1-(4-methylcyclohexen-1-yl)-2-(oxan-4-yl)ethanone
CID 103451153
1-(4-methylcyclohexen-1-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103451165
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
1-(4-methylcyclohexen-1-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047618
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114967727
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
2,5-diethylthiophene
CID 521294
1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone (CID 103450946) is 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone is CCc1ccc(CC(=O)C2=CCC(C)CC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone?
The InChIKey is SCMYPJUQYDKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-3-13-8-9-14(17-13)10-15(16)12-6-4-11(2)5-7-12/h6,8-9,11H,3-5,7,10H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone has a molecular weight of 248.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 103450946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).