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

C15H16O3S — CID 43612279

IUPAC1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H16O3S/c1-3-13-8-9-15(19-13)14(16)10-18-12-6-4-11(17-2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyKLCYLILRLHDIBK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds6

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

1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 43612279) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID43612279
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H16O3S/c1-3-13-8-9-15(19-13)14(16)10-18-12-6-4-11(17-2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyKLCYLILRLHDIBK-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone (CID 43612279) is 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone is CCc1ccc(C(=O)COc2ccc(OC)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is KLCYLILRLHDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-3-13-8-9-15(19-13)14(16)10-18-12-6-4-11(17-2)5-7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 276.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 43612279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).