methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate

C15H14O3S — CID 3642305

IUPACmethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C15H14O3S/c1-10(15(17)18-2)11-5-7-12(8-6-11)14(16)13-4-3-9-19-13/h3-10H,1-2H3
InChIKeyXJKZZVPYOOIMPE-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate

methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate (PubChem CID 3642305) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate
PubChem CID3642305
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C15H14O3S/c1-10(15(17)18-2)11-5-7-12(8-6-11)14(16)13-4-3-9-19-13/h3-10H,1-2H3
InChIKeyXJKZZVPYOOIMPE-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate (CID 3642305) is methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate is COC(=O)C(C)c1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate?
The InChIKey is XJKZZVPYOOIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10(15(17)18-2)11-5-7-12(8-6-11)14(16)13-4-3-9-19-13/h3-10H,1-2H3.
What are the key properties of methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate?
methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate has a molecular weight of 274.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate is sourced from PubChem (CID 3642305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).