1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone

C16H18O3S — CID 63986786

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
SMILESCOCc1cccc(OCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O3S/c1-11-7-15(12(2)20-11)16(17)10-19-14-6-4-5-13(8-14)9-18-3/h4-8H,9-10H2,1-3H3
InChIKeyIGQNUBBIPSHZEN-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.77
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone (PubChem CID 63986786) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
PubChem CID63986786
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
SMILESCOCc1cccc(OCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O3S/c1-11-7-15(12(2)20-11)16(17)10-19-14-6-4-5-13(8-14)9-18-3/h4-8H,9-10H2,1-3H3
InChIKeyIGQNUBBIPSHZEN-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
2-(4-butan-2-ylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 107666360
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641956

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone (CID 63986786) is 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone is COCc1cccc(OCC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone?
The InChIKey is IGQNUBBIPSHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-11-7-15(12(2)20-11)16(17)10-19-14-6-4-5-13(8-14)9-18-3/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone has a molecular weight of 290.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone is sourced from PubChem (CID 63986786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).