methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate

C19H15FO2S — CID 2741197

IUPACmethyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(-c3ccccc3F)cc2)s1
InChIInChI=1S/C19H15FO2S/c1-12-11-17(19(21)22-2)23-18(12)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3
InChIKeyIZGUKUTUXCADOC-UHFFFAOYSA-N
MW326.39 g/mol
LogP5.32
Rot. Bonds3

About methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate

methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate (PubChem CID 2741197) has the molecular formula C19H15FO2S and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
PubChem CID2741197
Molecular FormulaC19H15FO2S
Molecular Weight326.39 g/mol
Exact Mass326.08
IUPAC Namemethyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(-c3ccccc3F)cc2)s1
InChIInChI=1S/C19H15FO2S/c1-12-11-17(19(21)22-2)23-18(12)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3
InChIKeyIZGUKUTUXCADOC-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate
CID 67299283
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78917575
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate
CID 66704223
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
CID 121238680
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
1-[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]ethanone
CID 115002911
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 78973991
methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115996483

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate (CID 2741197) is methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate is COC(=O)c1cc(C)c(-c2ccc(-c3ccccc3F)cc2)s1.
What is the InChIKey of methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate?
The InChIKey is IZGUKUTUXCADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO2S/c1-12-11-17(19(21)22-2)23-18(12)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-11H,1-2H3.
What are the key properties of methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate?
methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 2741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).