methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate

C15H16O3S — CID 66704223

IUPACmethyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(OC)cc2C)s1
InChIInChI=1S/C15H16O3S/c1-9-7-11(17-3)5-6-12(9)14-10(2)8-13(19-14)15(16)18-4/h5-8H,1-4H3
InChIKeyAALWVKQRLXHHRT-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.83
Rot. Bonds3

About methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate

methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate (PubChem CID 66704223) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate
PubChem CID66704223
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Namemethyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(OC)cc2C)s1
InChIInChI=1S/C15H16O3S/c1-9-7-11(17-3)5-6-12(9)14-10(2)8-13(19-14)15(16)18-4/h5-8H,1-4H3
InChIKeyAALWVKQRLXHHRT-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate
CID 68762256
methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
CID 2741197
methyl 5-[5-(5-iodo-4-methylthiophen-2-yl)-3-methylthiophen-2-yl]-4-methylthiophene-2-carboxylate
CID 71570032
1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxy-2-methylphenyl)-4-methylthiophen-2-yl]sulfonylurea
CID 24752643
methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate
CID 58894578
3-methoxy-5-(4-methoxy-2-methylphenyl)phenol
CID 53220859
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate (CID 66704223) is methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate is COC(=O)c1cc(C)c(-c2ccc(OC)cc2C)s1.
What is the InChIKey of methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate?
The InChIKey is AALWVKQRLXHHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-9-7-11(17-3)5-6-12(9)14-10(2)8-13(19-14)15(16)18-4/h5-8H,1-4H3.
What are the key properties of methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate?
methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxy-2-methylphenyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 66704223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).