5-(4-phenylphenyl)thiophene-2-carboxylic acid

C17H12O2S — CID 7130760

IUPAC5-(4-phenylphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H12O2S/c18-17(19)16-11-10-15(20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19)
InChIKeyDSTXAXUTSLGOLB-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.78
Rot. Bonds3

About 5-(4-phenylphenyl)thiophene-2-carboxylic acid

5-(4-phenylphenyl)thiophene-2-carboxylic acid (PubChem CID 7130760) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(4-phenylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)thiophene-2-carboxylic acid
PubChem CID7130760
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name5-(4-phenylphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H12O2S/c18-17(19)16-11-10-15(20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19)
InChIKeyDSTXAXUTSLGOLB-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)thiophene-2-carboxylic acid (CID 7130760) is 5-(4-phenylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 5-(4-phenylphenyl)thiophene-2-carboxylic acid?
The InChIKey is DSTXAXUTSLGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17(19)16-11-10-15(20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19).
What are the key properties of 5-(4-phenylphenyl)thiophene-2-carboxylic acid?
5-(4-phenylphenyl)thiophene-2-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 7130760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).