1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone

C15H22O2S — CID 116749303

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
SMILESCCOC1(C(=O)Cc2cccs2)CCC(C)CC1
InChIInChI=1S/C15H22O2S/c1-3-17-15(8-6-12(2)7-9-15)14(16)11-13-5-4-10-18-13/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWUWAQCCMRFCEHC-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.85
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone

1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone (PubChem CID 116749303) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
PubChem CID116749303
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
SMILESCCOC1(C(=O)Cc2cccs2)CCC(C)CC1
InChIInChI=1S/C15H22O2S/c1-3-17-15(8-6-12(2)7-9-15)14(16)11-13-5-4-10-18-13/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWUWAQCCMRFCEHC-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749384
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone (CID 116749303) is 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone is CCOC1(C(=O)Cc2cccs2)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone?
The InChIKey is WUWAQCCMRFCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-17-15(8-6-12(2)7-9-15)14(16)11-13-5-4-10-18-13/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone?
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone has a molecular weight of 266.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116749303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).