methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate

C14H14O3S — CID 124674562

IUPACmethyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccccc1-c1ccsc1
InChIInChI=1S/C14H14O3S/c1-10(14(15)16-2)17-13-6-4-3-5-12(13)11-7-8-18-9-11/h3-10H,1-2H3/t10-/m1/s1
InChIKeyXXNOBNBAPDFQMV-SNVBAGLBSA-N
MW262.33 g/mol
LogP3.36
Rot. Bonds4

About methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate

methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate (PubChem CID 124674562) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate
PubChem CID124674562
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Namemethyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccccc1-c1ccsc1
InChIInChI=1S/C14H14O3S/c1-10(14(15)16-2)17-13-6-4-3-5-12(13)11-7-8-18-9-11/h3-10H,1-2H3/t10-/m1/s1
InChIKeyXXNOBNBAPDFQMV-SNVBAGLBSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate (CID 124674562) is methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccccc1-c1ccsc1.
What is the InChIKey of methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate?
The InChIKey is XXNOBNBAPDFQMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14O3S/c1-10(14(15)16-2)17-13-6-4-3-5-12(13)11-7-8-18-9-11/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate?
methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate has a molecular weight of 262.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-thiophen-3-ylphenoxy)propanoate is sourced from PubChem (CID 124674562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).