methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate

C14H14O2S — CID 103172898

IUPACmethyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccc(C)cc1
InChIInChI=1S/C14H14O2S/c1-9-4-6-11(7-5-9)12-10(2)8-17-13(12)14(15)16-3/h4-8H,1-3H3
InChIKeyWSWOFPPEQXPAJC-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.82
Rot. Bonds2

About methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate

methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 103172898) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID103172898
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namemethyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccc(C)cc1
InChIInChI=1S/C14H14O2S/c1-9-4-6-11(7-5-9)12-10(2)8-17-13(12)14(15)16-3/h4-8H,1-3H3
InChIKeyWSWOFPPEQXPAJC-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(difluoromethylsulfanyl)phenyl]-4-methylthiophene-2-carboxylate
CID 103172914
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
CID 103173087
methyl 3-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-4-methylthiophene-2-carboxylate
CID 106522809
methyl 4-iodo-3-(4-iodo-2-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 56694840
methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate
CID 114197753
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762
methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173159
methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173186

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate (CID 103172898) is methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1ccc(C)cc1.
What is the InChIKey of methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is WSWOFPPEQXPAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-4-6-11(7-5-9)12-10(2)8-17-13(12)14(15)16-3/h4-8H,1-3H3.
What are the key properties of methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 246.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 103172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).