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

C15H16O2S — CID 62622229

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H16O2S/c1-3-13-8-9-14(18-13)10-15(16)11-4-6-12(17-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyCMVSQXQIEKATLR-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.74
Rot. Bonds5

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

2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 62622229) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID62622229
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H16O2S/c1-3-13-8-9-14(18-13)10-15(16)11-4-6-12(17-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyCMVSQXQIEKATLR-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
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CID 114967820
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
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1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
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1-(4-methoxyphenyl)butan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone (CID 62622229) is 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is CMVSQXQIEKATLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-3-13-8-9-14(18-13)10-15(16)11-4-6-12(17-2)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 62622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).