5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid

C14H14O4S — CID 116810851

IUPAC5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1cccc(OC)c1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C14H14O4S/c1-8-7-11(14(15)16)19-13(8)12-9(17-2)5-4-6-10(12)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyHZJBGPYBGLHFTF-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.44
Rot. Bonds4

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

5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 116810851) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID116810851
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1cccc(OC)c1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C14H14O4S/c1-8-7-11(14(15)16)19-13(8)12-9(17-2)5-4-6-10(12)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyHZJBGPYBGLHFTF-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
5-(4-methoxy-3,5-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83068189
4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 78973991
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 90141254
4,5-dimethoxythiophene-2-carboxylic acid
CID 69334026
4-methyl-5-[2-(oxolan-3-ylmethoxy)phenyl]thiophene-2-carboxylic acid
CID 167945928
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78917575
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (CID 116810851) is 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is COc1cccc(OC)c1-c1sc(C(=O)O)cc1C.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is HZJBGPYBGLHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-8-7-11(14(15)16)19-13(8)12-9(17-2)5-4-6-10(12)18-3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 116810851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).