2-(4-phenylphenyl)butanoic acid

C16H16O2 — CID 13737

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IUPAC2-(4-phenylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyIYEPZNKOJZOGJG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-phenylphenyl)butanoic acid

2-(4-phenylphenyl)butanoic acid (PubChem CID 13737) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)butanoic acid
PubChem CID13737
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(4-phenylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyIYEPZNKOJZOGJG-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)butanoic acid?
The IUPAC name of 2-(4-phenylphenyl)butanoic acid (CID 13737) is 2-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 2-(4-phenylphenyl)butanoic acid is CCC(C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)butanoic acid?
The InChIKey is IYEPZNKOJZOGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-phenylphenyl)butanoic acid?
2-(4-phenylphenyl)butanoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 13737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).