3,5-dimethoxy-4-thiophen-2-ylbenzoic acid

C13H12O4S — CID 16768733

IUPAC3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1cccs1
InChIInChI=1S/C13H12O4S/c1-16-9-6-8(13(14)15)7-10(17-2)12(9)11-4-3-5-18-11/h3-7H,1-2H3,(H,14,15)
InChIKeyQFUPKFADXFDQHV-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.13
Rot. Bonds4

About 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid

3,5-dimethoxy-4-thiophen-2-ylbenzoic acid (PubChem CID 16768733) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
PubChem CID16768733
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1cccs1
InChIInChI=1S/C13H12O4S/c1-16-9-6-8(13(14)15)7-10(17-2)12(9)11-4-3-5-18-11/h3-7H,1-2H3,(H,14,15)
InChIKeyQFUPKFADXFDQHV-UHFFFAOYSA-N
XLogP3.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
CID 16768846
7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
CID 58381346
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
CID 102584485
4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
CID 82093065
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
3,4-dimethoxy-5-(2-thiophen-2-ylpropanoylamino)benzoic acid
CID 119214268
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-hydroxyprop-2-ynyl]benzoic acid
CID 18449301
4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
CID 122564734
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid?
The IUPAC name of 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid (CID 16768733) is 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid?
The canonical SMILES for 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid is COc1cc(C(=O)O)cc(OC)c1-c1cccs1.
What is the InChIKey of 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid?
The InChIKey is QFUPKFADXFDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-16-9-6-8(13(14)15)7-10(17-2)12(9)11-4-3-5-18-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid?
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid has a molecular weight of 264.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 16768733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).