methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate

C19H14ClFO3S — CID 67299339

IUPACmethyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C19H14ClFO3S/c1-23-13-6-3-11(4-7-13)15-10-17(19(22)24-2)25-18(15)14-8-5-12(21)9-16(14)20/h3-10H,1-2H3
InChIKeyWRWGNJSORDHDDI-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.67
Rot. Bonds4

About methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate

methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 67299339) has the molecular formula C19H14ClFO3S and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate
PubChem CID67299339
Molecular FormulaC19H14ClFO3S
Molecular Weight376.84 g/mol
Exact Mass376.03
IUPAC Namemethyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C19H14ClFO3S/c1-23-13-6-3-11(4-7-13)15-10-17(19(22)24-2)25-18(15)14-8-5-12(21)9-16(14)20/h3-10H,1-2H3
InChIKeyWRWGNJSORDHDDI-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate (CID 67299339) is methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2Cl)s1.
What is the InChIKey of methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is WRWGNJSORDHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO3S/c1-23-13-6-3-11(4-7-13)15-10-17(19(22)24-2)25-18(15)14-8-5-12(21)9-16(14)20/h3-10H,1-2H3.
What are the key properties of methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate?
methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 376.84 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 67299339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).