4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

C20H13NO3S — CID 25218753

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H13NO3S/c22-20(23)18-10-16-17(11-21-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeyZKPZZOFVDONWEO-UHFFFAOYSA-N
MW347.40 g/mol
LogP5.45
Rot. Bonds4

About 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 25218753) has the molecular formula C20H13NO3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID25218753
Molecular FormulaC20H13NO3S
Molecular Weight347.40 g/mol
Exact Mass347.06
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H13NO3S/c22-20(23)18-10-16-17(11-21-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeyZKPZZOFVDONWEO-UHFFFAOYSA-N
XLogP5.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-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 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (CID 25218753) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is ZKPZZOFVDONWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3S/c22-20(23)18-10-16-17(11-21-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23).
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 25218753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).