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

C15H16O4S — CID 117241060

IUPACmethyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1cccc(O)c1)c1ccc(C)s1
InChIInChI=1S/C15H16O4S/c1-10-6-7-14(20-10)13(15(17)18-2)9-19-12-5-3-4-11(16)8-12/h3-8,13,16H,9H2,1-2H3
InChIKeyDJYMMGJJQZHSHJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.10
Rot. Bonds5

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

methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate (PubChem CID 117241060) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
PubChem CID117241060
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Namemethyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
SMILESCOC(=O)C(COc1cccc(O)c1)c1ccc(C)s1
InChIInChI=1S/C15H16O4S/c1-10-6-7-14(20-10)13(15(17)18-2)9-19-12-5-3-4-11(16)8-12/h3-8,13,16H,9H2,1-2H3
InChIKeyDJYMMGJJQZHSHJ-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
CID 117240147
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
methyl 2-[(3-hydroxyphenoxy)methyl]pentanoate
CID 117242190
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
3-(2-fluoropropoxy)phenol
CID 84653742
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The IUPAC name of methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate (CID 117241060) is methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate is COC(=O)C(COc1cccc(O)c1)c1ccc(C)s1.
What is the InChIKey of methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
The InChIKey is DJYMMGJJQZHSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-10-6-7-14(20-10)13(15(17)18-2)9-19-12-5-3-4-11(16)8-12/h3-8,13,16H,9H2,1-2H3.
What are the key properties of methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate?
methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate has a molecular weight of 292.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate is sourced from PubChem (CID 117241060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).