methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate

C15H16O3S — CID 117240950

IUPACmethyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1C)c1cccs1
InChIInChI=1S/C15H16O3S/c1-11-6-3-4-7-13(11)18-10-12(15(16)17-2)14-8-5-9-19-14/h3-9,12H,10H2,1-2H3
InChIKeySMJCRZISZPGQDP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.39
Rot. Bonds5

About methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate

methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate (PubChem CID 117240950) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
PubChem CID117240950
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Namemethyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1C)c1cccs1
InChIInChI=1S/C15H16O3S/c1-11-6-3-4-7-13(11)18-10-12(15(16)17-2)14-8-5-9-19-14/h3-9,12H,10H2,1-2H3
InChIKeySMJCRZISZPGQDP-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
CID 117240970
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
CID 117244304
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
methyl 2-thiophen-2-yloctanoate
CID 67745736
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
methyl 2-thiophen-2-ylpropanoate
CID 12819459

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate (CID 117240950) is methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate is COC(=O)C(COc1ccccc1C)c1cccs1.
What is the InChIKey of methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate?
The InChIKey is SMJCRZISZPGQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-11-6-3-4-7-13(11)18-10-12(15(16)17-2)14-8-5-9-19-14/h3-9,12H,10H2,1-2H3.
What are the key properties of methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate?
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate has a molecular weight of 276.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 117240950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).