2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone

C14H14O2S — CID 43612207

IUPAC2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H14O2S/c1-10-3-6-12(7-4-10)16-9-13(15)14-8-5-11(2)17-14/h3-8H,9H2,1-2H3
InChIKeyHFXXRUQONIAHCH-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone

2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43612207) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43612207
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H14O2S/c1-10-3-6-12(7-4-10)16-9-13(15)14-8-5-11(2)17-14/h3-8H,9H2,1-2H3
InChIKeyHFXXRUQONIAHCH-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

Analyze 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62034019
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone (CID 43612207) is 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(OCC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HFXXRUQONIAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-3-6-12(7-4-10)16-9-13(15)14-8-5-11(2)17-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone?
2-(4-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-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43612207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).