2-(4-ethylphenoxy)-1-thiophen-2-ylethanone

C14H14O2S — CID 43412734

IUPAC2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
SMILESCCc1ccc(OCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-2-11-5-7-12(8-6-11)16-10-13(15)14-4-3-9-17-14/h3-9H,2,10H2,1H3
InChIKeyNYOHQZOHNGMOEM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone

2-(4-ethylphenoxy)-1-thiophen-2-ylethanone (PubChem CID 43412734) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
PubChem CID43412734
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
SMILESCCc1ccc(OCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-2-11-5-7-12(8-6-11)16-10-13(15)14-4-3-9-17-14/h3-9H,2,10H2,1H3
InChIKeyNYOHQZOHNGMOEM-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 19645321
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
(2-oxo-2-thiophen-2-ylethyl) 4-(2-amino-2-oxoethoxy)benzoate
CID 8678423
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6272283
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone (CID 43412734) is 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone is CCc1ccc(OCC(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone?
The InChIKey is NYOHQZOHNGMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-2-11-5-7-12(8-6-11)16-10-13(15)14-4-3-9-17-14/h3-9H,2,10H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone?
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone has a molecular weight of 246.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43412734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).