4-(4-phenylphenyl)butanoic acid

C16H16O2 — CID 11139230

IUPAC4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)
InChIKeyXSFAQQLHYUBFKV-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.76
Rot. Bonds5

About 4-(4-phenylphenyl)butanoic acid

4-(4-phenylphenyl)butanoic acid (PubChem CID 11139230) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-phenylphenyl)butanoic acid
PubChem CID11139230
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)
InChIKeyXSFAQQLHYUBFKV-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)butanoic acid?
The IUPAC name of 4-(4-phenylphenyl)butanoic acid (CID 11139230) is 4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 4-(4-phenylphenyl)butanoic acid is O=C(O)CCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)butanoic acid?
The InChIKey is XSFAQQLHYUBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18).
What are the key properties of 4-(4-phenylphenyl)butanoic acid?
4-(4-phenylphenyl)butanoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 11139230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).