2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone

C14H19ClO2S — CID 116749729

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Cl)s2)CCCC(C)C1
InChIInChI=1S/C14H19ClO2S/c1-10-4-3-7-14(9-10,17-2)12(16)8-11-5-6-13(15)18-11/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFUMWWCPDAJRILE-UHFFFAOYSA-N
MW286.82 g/mol
LogP4.11
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone

2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749729) has the molecular formula C14H19ClO2S and a molecular weight of 286.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
PubChem CID116749729
Molecular FormulaC14H19ClO2S
Molecular Weight286.82 g/mol
Exact Mass286.08
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Cl)s2)CCCC(C)C1
InChIInChI=1S/C14H19ClO2S/c1-10-4-3-7-14(9-10,17-2)12(16)8-11-5-6-13(15)18-11/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFUMWWCPDAJRILE-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079
2-(2-chloro-6-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749639
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103809476
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one
CID 103035447
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone (CID 116749729) is 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone is COC1(C(=O)Cc2ccc(Cl)s2)CCCC(C)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The InChIKey is FUMWWCPDAJRILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S/c1-10-4-3-7-14(9-10,17-2)12(16)8-11-5-6-13(15)18-11/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone has a molecular weight of 286.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).