methyl 2-(3-thiophen-3-ylphenyl)acetate

C13H12O2S — CID 141177375

IUPACmethyl 2-(3-thiophen-3-ylphenyl)acetate
SMILESCOC(=O)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C13H12O2S/c1-15-13(14)8-10-3-2-4-11(7-10)12-5-6-16-9-12/h2-7,9H,8H2,1H3
InChIKeyXLBHKJCICYYOLG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.13
Rot. Bonds3

About methyl 2-(3-thiophen-3-ylphenyl)acetate

methyl 2-(3-thiophen-3-ylphenyl)acetate (PubChem CID 141177375) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 2-(3-thiophen-3-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-thiophen-3-ylphenyl)acetate
PubChem CID141177375
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Namemethyl 2-(3-thiophen-3-ylphenyl)acetate
SMILESCOC(=O)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C13H12O2S/c1-15-13(14)8-10-3-2-4-11(7-10)12-5-6-16-9-12/h2-7,9H,8H2,1H3
InChIKeyXLBHKJCICYYOLG-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
formamide;methyl 2-(3-phenylphenyl)acetate
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methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
3-[4-[3-(2-methoxy-2-oxoethyl)phenyl]phenyl]propanoic acid
CID 167840837
methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
CID 157188448
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methylsulfinylmethyl)phenyl]acetate
CID 144641102
methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
CID 75488391
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl (E)-3-oxo-8-(3-thiophen-3-ylphenyl)oct-7-enoate
CID 67787886
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-thiophen-3-ylphenyl)acetate?
The IUPAC name of methyl 2-(3-thiophen-3-ylphenyl)acetate (CID 141177375) is methyl 2-(3-thiophen-3-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-thiophen-3-ylphenyl)acetate?
The canonical SMILES for methyl 2-(3-thiophen-3-ylphenyl)acetate is COC(=O)Cc1cccc(-c2ccsc2)c1.
What is the InChIKey of methyl 2-(3-thiophen-3-ylphenyl)acetate?
The InChIKey is XLBHKJCICYYOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-15-13(14)8-10-3-2-4-11(7-10)12-5-6-16-9-12/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(3-thiophen-3-ylphenyl)acetate?
methyl 2-(3-thiophen-3-ylphenyl)acetate has a molecular weight of 232.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-thiophen-3-ylphenyl)acetate is sourced from PubChem (CID 141177375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).