5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid

C18H13FO3S — CID 23372825

IUPAC5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FO3S/c1-22-14-8-4-11(5-9-14)15-10-16(18(20)21)23-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,21)
InChIKeyCGDVLOKCAKOCPB-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.93
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid

5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid (PubChem CID 23372825) has the molecular formula C18H13FO3S and a molecular weight of 328.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid
PubChem CID23372825
Molecular FormulaC18H13FO3S
Molecular Weight328.36 g/mol
Exact Mass328.06
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FO3S/c1-22-14-8-4-11(5-9-14)15-10-16(18(20)21)23-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,21)
InChIKeyCGDVLOKCAKOCPB-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-4-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid (CID 23372825) is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid is COc1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is CGDVLOKCAKOCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO3S/c1-22-14-8-4-11(5-9-14)15-10-16(18(20)21)23-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid?
5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 328.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 23372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).