5-(4-benzylphenyl)thiophene-3-carboxylic acid

C18H14O2S — CID 79692056

IUPAC5-(4-benzylphenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cc3ccccc3)cc2)c1
InChIInChI=1S/C18H14O2S/c19-18(20)16-11-17(21-12-16)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,20)
InChIKeyWFUGKKFHNIVFBC-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-benzylphenyl)thiophene-3-carboxylic acid

5-(4-benzylphenyl)thiophene-3-carboxylic acid (PubChem CID 79692056) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(4-benzylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-benzylphenyl)thiophene-3-carboxylic acid
PubChem CID79692056
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name5-(4-benzylphenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cc3ccccc3)cc2)c1
InChIInChI=1S/C18H14O2S/c19-18(20)16-11-17(21-12-16)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,20)
InChIKeyWFUGKKFHNIVFBC-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4-benzylphenyl)thiophene-3-carboxylic acid (CID 79692056) is 5-(4-benzylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4-benzylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4-benzylphenyl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2ccc(Cc3ccccc3)cc2)c1.
What is the InChIKey of 5-(4-benzylphenyl)thiophene-3-carboxylic acid?
The InChIKey is WFUGKKFHNIVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-18(20)16-11-17(21-12-16)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,20).
What are the key properties of 5-(4-benzylphenyl)thiophene-3-carboxylic acid?
5-(4-benzylphenyl)thiophene-3-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 79692056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).