2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone

C16H18O4S — CID 43799632

IUPAC2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2c(OC)cccc2OC)s1
InChIInChI=1S/C16H18O4S/c1-4-11-8-9-15(21-11)12(17)10-20-16-13(18-2)6-5-7-14(16)19-3/h5-9H,4,10H2,1-3H3
InChIKeyPTVKDSYCWRPYBI-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.59
Rot. Bonds7

About 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone

2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 43799632) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID43799632
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2c(OC)cccc2OC)s1
InChIInChI=1S/C16H18O4S/c1-4-11-8-9-15(21-11)12(17)10-20-16-13(18-2)6-5-7-14(16)19-3/h5-9H,4,10H2,1-3H3
InChIKeyPTVKDSYCWRPYBI-UHFFFAOYSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
CID 64636460
2-(2-chloro-6-nitrophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 103764386
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
1-(5-ethylthiophen-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567064
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone (CID 43799632) is 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)COc2c(OC)cccc2OC)s1.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is PTVKDSYCWRPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-4-11-8-9-15(21-11)12(17)10-20-16-13(18-2)6-5-7-14(16)19-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 306.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 43799632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).