1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone

C16H18O3S — CID 62031414

IUPAC1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
SMILESCCc1ccc(C(=O)COCc2ccc(OC)cc2)s1
InChIInChI=1S/C16H18O3S/c1-3-14-8-9-16(20-14)15(17)11-19-10-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3
InChIKeyFKXGQPPQIRMGOJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.72
Rot. Bonds7

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

1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone (PubChem CID 62031414) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
PubChem CID62031414
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
SMILESCCc1ccc(C(=O)COCc2ccc(OC)cc2)s1
InChIInChI=1S/C16H18O3S/c1-3-14-8-9-16(20-14)15(17)11-19-10-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3
InChIKeyFKXGQPPQIRMGOJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031401
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974142

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone (CID 62031414) is 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone is CCc1ccc(C(=O)COCc2ccc(OC)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The InChIKey is FKXGQPPQIRMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-14-8-9-16(20-14)15(17)11-19-10-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone has a molecular weight of 290.38 g/mol, XLogP of 3.72, 7 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-methoxyphenyl)methoxy]ethanone is sourced from PubChem (CID 62031414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).