(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone

C14H19ClO2S — CID 116749362

IUPAC(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2ccc(Cl)s2)CCC(C)CC1
InChIInChI=1S/C14H19ClO2S/c1-3-17-14(8-6-10(2)7-9-14)13(16)11-4-5-12(15)18-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJZTQNMZZLYILFP-UHFFFAOYSA-N
MW286.82 g/mol
LogP4.57
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone

(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone (PubChem CID 116749362) has the molecular formula C14H19ClO2S and a molecular weight of 286.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
PubChem CID116749362
Molecular FormulaC14H19ClO2S
Molecular Weight286.82 g/mol
Exact Mass286.08
IUPAC Name(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2ccc(Cl)s2)CCC(C)CC1
InChIInChI=1S/C14H19ClO2S/c1-3-17-14(8-6-10(2)7-9-14)13(16)11-4-5-12(15)18-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJZTQNMZZLYILFP-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749351
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 114642779
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749384
2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749468
2-(3-chloro-2-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 102857332
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone (CID 116749362) is (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone is CCOC1(C(=O)c2ccc(Cl)s2)CCC(C)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The InChIKey is JZTQNMZZLYILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S/c1-3-17-14(8-6-10(2)7-9-14)13(16)11-4-5-12(15)18-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone?
(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone has a molecular weight of 286.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).