2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone

C14H14O2S — CID 43412330

IUPAC2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1ccc(OCC(=O)c2cccs2)cc1C
InChIInChI=1S/C14H14O2S/c1-10-5-6-12(8-11(10)2)16-9-13(15)14-4-3-7-17-14/h3-8H,9H2,1-2H3
InChIKeyZSCDSKXMGRROJI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone

2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone (PubChem CID 43412330) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
PubChem CID43412330
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1ccc(OCC(=O)c2cccs2)cc1C
InChIInChI=1S/C14H14O2S/c1-10-5-6-12(8-11(10)2)16-9-13(15)14-4-3-7-17-14/h3-8H,9H2,1-2H3
InChIKeyZSCDSKXMGRROJI-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
[2-(3,4-dimethylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1218644
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone (CID 43412330) is 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone is Cc1ccc(OCC(=O)c2cccs2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone?
The InChIKey is ZSCDSKXMGRROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-5-6-12(8-11(10)2)16-9-13(15)14-4-3-7-17-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone?
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone has a molecular weight of 246.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).