2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone

C14H14O2S — CID 43612233

IUPAC2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccccc2C)s1
InChIInChI=1S/C14H14O2S/c1-10-5-3-4-6-13(10)16-9-12(15)14-8-7-11(2)17-14/h3-8H,9H2,1-2H3
InChIKeyWMBCXGQGXUMEHO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone

2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43612233) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43612233
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccccc2C)s1
InChIInChI=1S/C14H14O2S/c1-10-5-3-4-6-13(10)16-9-12(15)14-8-7-11(2)17-14/h3-8H,9H2,1-2H3
InChIKeyWMBCXGQGXUMEHO-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

N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 43222115
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 43411918
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone (CID 43612233) is 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)COc2ccccc2C)s1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is WMBCXGQGXUMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-5-3-4-6-13(10)16-9-12(15)14-8-7-11(2)17-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone 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-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43612233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).