ethyl 2-methyl-5-phenylthiophene-3-carboxylate

C14H14O2S — CID 71384067

IUPACethyl 2-methyl-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C14H14O2S/c1-3-16-14(15)12-9-13(17-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyCOIAFZSQYIZIBN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.90
Rot. Bonds3

About ethyl 2-methyl-5-phenylthiophene-3-carboxylate

ethyl 2-methyl-5-phenylthiophene-3-carboxylate (PubChem CID 71384067) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is ethyl 2-methyl-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-phenylthiophene-3-carboxylate
PubChem CID71384067
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-methyl-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C14H14O2S/c1-3-16-14(15)12-9-13(17-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyCOIAFZSQYIZIBN-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methyl-5-phenylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-phenylthiophene-3-carboxylate (CID 71384067) is ethyl 2-methyl-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1C.
What is the InChIKey of ethyl 2-methyl-5-phenylthiophene-3-carboxylate?
The InChIKey is COIAFZSQYIZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-16-14(15)12-9-13(17-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-phenylthiophene-3-carboxylate?
ethyl 2-methyl-5-phenylthiophene-3-carboxylate has a molecular weight of 246.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 71384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).