5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid

C15H16O3S — CID 106681054

IUPAC5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C15H16O3S/c1-8-5-9(2)13(11(6-8)18-4)14-10(3)7-12(19-14)15(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyWAKBMZMXAZRHFS-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.05
Rot. Bonds3

About 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid

5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 106681054) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID106681054
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C15H16O3S/c1-8-5-9(2)13(11(6-8)18-4)14-10(3)7-12(19-14)15(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyWAKBMZMXAZRHFS-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
5-(4-methoxy-3,5-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83068189
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368
2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
CID 98020900
5-(3-fluoro-5-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 79989747
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
5-iodo-4-methoxythiophene-2-carboxylic acid
CID 112706192
4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 78973991
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
4,5-dimethoxythiophene-2-carboxylic acid
CID 69334026
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid (CID 106681054) is 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid is COc1cc(C)cc(C)c1-c1sc(C(=O)O)cc1C.
What is the InChIKey of 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is WAKBMZMXAZRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-8-5-9(2)13(11(6-8)18-4)14-10(3)7-12(19-14)15(16)17/h5-7H,1-4H3,(H,16,17).
What are the key properties of 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid?
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106681054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).