5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid

C13H11FO3S — CID 64853998

IUPAC5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(OCc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C13H11FO3S/c1-8-2-4-10(14)11(6-8)17-7-9-3-5-12(18-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyQTDMOOXUNMSCGX-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.47
Rot. Bonds4

About 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid

5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid (PubChem CID 64853998) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
PubChem CID64853998
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(OCc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C13H11FO3S/c1-8-2-4-10(14)11(6-8)17-7-9-3-5-12(18-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyQTDMOOXUNMSCGX-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-fluoro-5-methylphenoxy)methyl]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

5-[(2-tert-butyl-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416216
5-[(2-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 55184546
5-[(5-bromo-2-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 107283141
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416095
5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512
N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559009
5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63379886
5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620547
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid (CID 64853998) is 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid is Cc1ccc(F)c(OCc2ccc(C(=O)O)s2)c1.
What is the InChIKey of 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid?
The InChIKey is QTDMOOXUNMSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c1-8-2-4-10(14)11(6-8)17-7-9-3-5-12(18-9)13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid?
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid has a molecular weight of 266.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 64853998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).