1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone

C17H20O2S — CID 43612546

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCc1cc(C(=O)COc2ccc(C(C)C)cc2)c(C)s1
InChIInChI=1S/C17H20O2S/c1-11(2)14-5-7-15(8-6-14)19-10-17(18)16-9-12(3)20-13(16)4/h5-9,11H,10H2,1-4H3
InChIKeyQPZGGRQUQLAMCC-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.75
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone

1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 43612546) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID43612546
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCc1cc(C(=O)COc2ccc(C(C)C)cc2)c(C)s1
InChIInChI=1S/C17H20O2S/c1-11(2)14-5-7-15(8-6-14)19-10-17(18)16-9-12(3)20-13(16)4/h5-9,11H,10H2,1-4H3
InChIKeyQPZGGRQUQLAMCC-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 107666360
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332969
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone (CID 43612546) is 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone is Cc1cc(C(=O)COc2ccc(C(C)C)cc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is QPZGGRQUQLAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-11(2)14-5-7-15(8-6-14)19-10-17(18)16-9-12(3)20-13(16)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 288.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43612546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).