1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone

C13H12O2S — CID 14710237

IUPAC1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccsc2C(C)=O)cc1
InChIInChI=1S/C13H12O2S/c1-9(14)13-12(7-8-16-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyAXPJDJWEPGPQIE-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.63
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone

1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone (PubChem CID 14710237) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone
PubChem CID14710237
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccsc2C(C)=O)cc1
InChIInChI=1S/C13H12O2S/c1-9(14)13-12(7-8-16-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyAXPJDJWEPGPQIE-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone (CID 14710237) is 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone is COc1ccc(-c2ccsc2C(C)=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is AXPJDJWEPGPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9(14)13-12(7-8-16-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone?
1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 232.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 14710237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).