methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate

C16H18O4S — CID 117241124

IUPACmethyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18O4S/c1-11-4-9-15(21-11)14(16(17)19-3)10-20-13-7-5-12(18-2)6-8-13/h4-9,14H,10H2,1-3H3
InChIKeyWUDPGCGLEABHBB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.40
Rot. Bonds6

About methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate

methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate (PubChem CID 117241124) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
PubChem CID117241124
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Namemethyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18O4S/c1-11-4-9-15(21-11)14(16(17)19-3)10-20-13-7-5-12(18-2)6-8-13/h4-9,14H,10H2,1-3H3
InChIKeyWUDPGCGLEABHBB-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241060
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl (2S,3R)-2-amino-3-(4-methoxyphenyl)-3-(5-methylthiophen-2-yl)propanoate
CID 102288966
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The IUPAC name of methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate (CID 117241124) is methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate is COC(=O)C(COc1ccc(OC)cc1)c1ccc(C)s1.
What is the InChIKey of methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The InChIKey is WUDPGCGLEABHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-11-4-9-15(21-11)14(16(17)19-3)10-20-13-7-5-12(18-2)6-8-13/h4-9,14H,10H2,1-3H3.
What are the key properties of methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate has a molecular weight of 306.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate is sourced from PubChem (CID 117241124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).