4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid

C14H14O4S — CID 98021685

IUPAC4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2cscc2C(=O)O)c(OC)c1C
InChIInChI=1S/C14H14O4S/c1-8-12(17-2)5-4-9(13(8)18-3)10-6-19-7-11(10)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyVJLHRCJQVXYAFY-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.44
Rot. Bonds4

About 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid

4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 98021685) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
PubChem CID98021685
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2cscc2C(=O)O)c(OC)c1C
InChIInChI=1S/C14H14O4S/c1-8-12(17-2)5-4-9(13(8)18-3)10-6-19-7-11(10)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyVJLHRCJQVXYAFY-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-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021686
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878527
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116915377
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid (CID 98021685) is 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid is COc1ccc(-c2cscc2C(=O)O)c(OC)c1C.
What is the InChIKey of 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is VJLHRCJQVXYAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-8-12(17-2)5-4-9(13(8)18-3)10-6-19-7-11(10)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-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 4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98021685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).