2-(2-acetyl-4-bromophenoxy)acetic acid

C10H9BrO4 — CID 19261363

IUPAC2-(2-acetyl-4-bromophenoxy)acetic acid
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)O
InChIInChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyZPKLKLLENLTZEX-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-acetyl-4-bromophenoxy)acetic acid

2-(2-acetyl-4-bromophenoxy)acetic acid (PubChem CID 19261363) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-acetyl-4-bromophenoxy)acetic acid
PubChem CID19261363
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name2-(2-acetyl-4-bromophenoxy)acetic acid
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)O
InChIInChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyZPKLKLLENLTZEX-UHFFFAOYSA-N
XLogP2.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-bromophenoxy)acetic acid?
The IUPAC name of 2-(2-acetyl-4-bromophenoxy)acetic acid (CID 19261363) is 2-(2-acetyl-4-bromophenoxy)acetic acid.
What is the SMILES notation for 2-(2-acetyl-4-bromophenoxy)acetic acid?
The canonical SMILES for 2-(2-acetyl-4-bromophenoxy)acetic acid is CC(=O)c1cc(Br)ccc1OCC(=O)O.
What is the InChIKey of 2-(2-acetyl-4-bromophenoxy)acetic acid?
The InChIKey is ZPKLKLLENLTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-acetyl-4-bromophenoxy)acetic acid?
2-(2-acetyl-4-bromophenoxy)acetic acid has a molecular weight of 273.08 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-bromophenoxy)acetic acid is sourced from PubChem (CID 19261363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).