2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid

C15H11BrO3 — CID 10734359

IUPAC2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyWEAAFOUYNVHBHL-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.57
Rot. Bonds4

About 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid

2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid (PubChem CID 10734359) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid
PubChem CID10734359
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyWEAAFOUYNVHBHL-UHFFFAOYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid (CID 10734359) is 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid?
The InChIKey is WEAAFOUYNVHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid?
2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid has a molecular weight of 319.15 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 10734359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).