5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid

C13H12O3S — CID 54965438

IUPAC5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOCc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O3S/c1-16-8-9-4-2-3-5-10(9)11-6-7-12(17-11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyZREGYJJVNYKIFY-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds4

About 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid

5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 54965438) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID54965438
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOCc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O3S/c1-16-8-9-4-2-3-5-10(9)11-6-7-12(17-11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyZREGYJJVNYKIFY-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic 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

1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone
CID 63400476
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
2-tert-butyl-5-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106511084
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
CID 43153970
2-[2-(methoxymethyl)phenyl]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130399420
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
CID 165167900

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid (CID 54965438) is 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid is COCc1ccccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is ZREGYJJVNYKIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-8-9-4-2-3-5-10(9)11-6-7-12(17-11)13(14)15/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid?
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54965438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).