2-(4-bromophenyl)-2-phenylacetic acid

C14H11BrO2 — CID 3847307

IUPAC2-(4-bromophenyl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyYNCBITWCPFWJJG-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-bromophenyl)-2-phenylacetic acid

2-(4-bromophenyl)-2-phenylacetic acid (PubChem CID 3847307) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-phenylacetic acid
PubChem CID3847307
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-(4-bromophenyl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyYNCBITWCPFWJJG-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-phenylacetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-phenylacetic acid (CID 3847307) is 2-(4-bromophenyl)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-phenylacetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-phenylacetic acid?
The InChIKey is YNCBITWCPFWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-2-phenylacetic acid?
2-(4-bromophenyl)-2-phenylacetic acid has a molecular weight of 291.14 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-phenylacetic acid is sourced from PubChem (CID 3847307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).