2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid

C21H15NO3S — CID 58622521

IUPAC2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C21H15NO3S/c23-21(24)11-17-10-18-19(12-22-13-20(18)26-17)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,23,24)
InChIKeyBABAFDNHCJEVIR-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.38
Rot. Bonds5

About 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid

2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid (PubChem CID 58622521) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid
PubChem CID58622521
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C21H15NO3S/c23-21(24)11-17-10-18-19(12-22-13-20(18)26-17)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,23,24)
InChIKeyBABAFDNHCJEVIR-UHFFFAOYSA-N
XLogP5.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid (CID 58622521) is 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid is O=C(O)Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid?
The InChIKey is BABAFDNHCJEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-21(24)11-17-10-18-19(12-22-13-20(18)26-17)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,23,24).
What are the key properties of 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid?
2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid has a molecular weight of 361.42 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid is sourced from PubChem (CID 58622521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).