2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone

C16H18O2S — CID 43412118

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1cc(OCC(=O)c2cccs2)ccc1C(C)C
InChIInChI=1S/C16H18O2S/c1-11(2)14-7-6-13(9-12(14)3)18-10-15(17)16-5-4-8-19-16/h4-9,11H,10H2,1-3H3
InChIKeyQZCJSVAAOCAMCY-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.44
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone

2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone (PubChem CID 43412118) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
PubChem CID43412118
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1cc(OCC(=O)c2cccs2)ccc1C(C)C
InChIInChI=1S/C16H18O2S/c1-11(2)14-7-6-13(9-12(14)3)18-10-15(17)16-5-4-8-19-16/h4-9,11H,10H2,1-3H3
InChIKeyQZCJSVAAOCAMCY-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479375
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 63567788
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8951493
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone (CID 43412118) is 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone is Cc1cc(OCC(=O)c2cccs2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The InChIKey is QZCJSVAAOCAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-11(2)14-7-6-13(9-12(14)3)18-10-15(17)16-5-4-8-19-16/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone has a molecular weight of 274.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43412118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).