2-bromo-2-(4-phenylphenyl)acetic acid

C14H11BrO2 — CID 56988857

IUPAC2-bromo-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11BrO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyPIYNLSNJHFOITD-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-2-(4-phenylphenyl)acetic acid

2-bromo-2-(4-phenylphenyl)acetic acid (PubChem CID 56988857) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-bromo-2-(4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-bromo-2-(4-phenylphenyl)acetic acid
PubChem CID56988857
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-bromo-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11BrO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyPIYNLSNJHFOITD-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-phenylphenyl)acetic acid?
The IUPAC name of 2-bromo-2-(4-phenylphenyl)acetic acid (CID 56988857) is 2-bromo-2-(4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-bromo-2-(4-phenylphenyl)acetic acid?
The canonical SMILES for 2-bromo-2-(4-phenylphenyl)acetic acid is O=C(O)C(Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-2-(4-phenylphenyl)acetic acid?
The InChIKey is PIYNLSNJHFOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17).
What are the key properties of 2-bromo-2-(4-phenylphenyl)acetic acid?
2-bromo-2-(4-phenylphenyl)acetic acid has a molecular weight of 291.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-phenylphenyl)acetic acid is sourced from PubChem (CID 56988857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).