4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid

C18H14O2S — CID 71187316

IUPAC4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(-c3ccccc3)c2)cs1
InChIInChI=1S/C18H14O2S/c19-18(20)17-11-14(12-21-17)9-13-5-4-8-16(10-13)15-6-2-1-3-7-15/h1-8,10-12H,9H2,(H,19,20)
InChIKeyZNAVOJXWPSOKKA-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.70
Rot. Bonds4

About 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid

4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid (PubChem CID 71187316) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid
PubChem CID71187316
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(-c3ccccc3)c2)cs1
InChIInChI=1S/C18H14O2S/c19-18(20)17-11-14(12-21-17)9-13-5-4-8-16(10-13)15-6-2-1-3-7-15/h1-8,10-12H,9H2,(H,19,20)
InChIKeyZNAVOJXWPSOKKA-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 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid (CID 71187316) is 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid is O=C(O)c1cc(Cc2cccc(-c3ccccc3)c2)cs1.
What is the InChIKey of 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid?
The InChIKey is ZNAVOJXWPSOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-18(20)17-11-14(12-21-17)9-13-5-4-8-16(10-13)15-6-2-1-3-7-15/h1-8,10-12H,9H2,(H,19,20).
What are the key properties of 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid?
4-[(3-phenylphenyl)methyl]thiophene-2-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 4-[(3-phenylphenyl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 71187316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).