methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate

C16H18O3S — CID 117240952

IUPACmethyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C16H18O3S/c1-11-6-4-5-7-14(11)19-10-13(16(17)18-3)15-9-8-12(2)20-15/h4-9,13H,10H2,1-3H3
InChIKeyASMFDTLPMHZYOW-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.70
Rot. Bonds5

About methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate

methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate (PubChem CID 117240952) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
PubChem CID117240952
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Namemethyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C16H18O3S/c1-11-6-4-5-7-14(11)19-10-13(16(17)18-3)15-9-8-12(2)20-15/h4-9,13H,10H2,1-3H3
InChIKeyASMFDTLPMHZYOW-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124
methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241060
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
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
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
CID 117240970
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate (CID 117240952) is methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate is COC(=O)C(COc1ccccc1C)c1ccc(C)s1.
What is the InChIKey of methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The InChIKey is ASMFDTLPMHZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-11-6-4-5-7-14(11)19-10-13(16(17)18-3)15-9-8-12(2)20-15/h4-9,13H,10H2,1-3H3.
What are the key properties of methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate has a molecular weight of 290.38 g/mol, XLogP of 3.70, 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-(5-methylthiophen-2-yl)propanoate is sourced from PubChem (CID 117240952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).