methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate

C14H13ClO4S — CID 117241127

IUPACmethyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClO4S/c1-18-14(17)11(12-6-7-13(15)20-12)8-19-10-4-2-9(16)3-5-10/h2-7,11,16H,8H2,1H3
InChIKeyZDCVNIHAGNLKAL-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate

methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate (PubChem CID 117241127) has the molecular formula C14H13ClO4S and a molecular weight of 312.77 g/mol. Its IUPAC name is methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
PubChem CID117241127
Molecular FormulaC14H13ClO4S
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Namemethyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClO4S/c1-18-14(17)11(12-6-7-13(15)20-12)8-19-10-4-2-9(16)3-5-10/h2-7,11,16H,8H2,1H3
InChIKeyZDCVNIHAGNLKAL-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241060
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
CID 117240898
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate?
The IUPAC name of methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate (CID 117241127) is methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate is COC(=O)C(COc1ccc(O)cc1)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate?
The InChIKey is ZDCVNIHAGNLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO4S/c1-18-14(17)11(12-6-7-13(15)20-12)8-19-10-4-2-9(16)3-5-10/h2-7,11,16H,8H2,1H3.
What are the key properties of methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate?
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate has a molecular weight of 312.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 117241127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).