2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H18O2S — CID 43612324

IUPAC2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O2S/c1-10-5-11(2)7-14(6-10)18-9-16(17)15-8-12(3)19-13(15)4/h5-8H,9H2,1-4H3
InChIKeyANTUBODUAFTFHP-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.24
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 43612324) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID43612324
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O2S/c1-10-5-11(2)7-14(6-10)18-9-16(17)15-8-12(3)19-13(15)4/h5-8H,9H2,1-4H3
InChIKeyANTUBODUAFTFHP-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
2-(4-butan-2-ylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 107666360
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
1-(2,5-dimethylthiophen-3-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 28595390
1-(2,5-dimethylthiophen-3-yl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 27545915

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 43612324) is 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C)cc(OCC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is ANTUBODUAFTFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-10-5-11(2)7-14(6-10)18-9-16(17)15-8-12(3)19-13(15)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 274.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 43612324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).