methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate

C13H11ClO2S — CID 103172925

IUPACmethyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClO2S/c1-8-7-17-12(13(15)16-2)11(8)9-4-3-5-10(14)6-9/h3-7H,1-2H3
InChIKeyIZMWCJGKWIRXTR-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.16
Rot. Bonds2

About methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate

methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate (PubChem CID 103172925) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
PubChem CID103172925
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Namemethyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClO2S/c1-8-7-17-12(13(15)16-2)11(8)9-4-3-5-10(14)6-9/h3-7H,1-2H3
InChIKeyIZMWCJGKWIRXTR-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
CID 103173087
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987
methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832170
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610456
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173159
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate (CID 103172925) is methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1cccc(Cl)c1.
What is the InChIKey of methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate?
The InChIKey is IZMWCJGKWIRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-8-7-17-12(13(15)16-2)11(8)9-4-3-5-10(14)6-9/h3-7H,1-2H3.
What are the key properties of methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate?
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate has a molecular weight of 266.75 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 103172925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).