2-(4-bromo-3-ethylphenoxy)acetic acid

C10H11BrO3 — CID 14207512

IUPAC2-(4-bromo-3-ethylphenoxy)acetic acid
SMILESCCc1cc(OCC(=O)O)ccc1Br
InChIInChI=1S/C10H11BrO3/c1-2-7-5-8(3-4-9(7)11)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyOACYRJMURIKUCV-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-bromo-3-ethylphenoxy)acetic acid

2-(4-bromo-3-ethylphenoxy)acetic acid (PubChem CID 14207512) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(4-bromo-3-ethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-ethylphenoxy)acetic acid
PubChem CID14207512
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(4-bromo-3-ethylphenoxy)acetic acid
SMILESCCc1cc(OCC(=O)O)ccc1Br
InChIInChI=1S/C10H11BrO3/c1-2-7-5-8(3-4-9(7)11)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyOACYRJMURIKUCV-UHFFFAOYSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethylphenoxy)acetic acid?
The IUPAC name of 2-(4-bromo-3-ethylphenoxy)acetic acid (CID 14207512) is 2-(4-bromo-3-ethylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-bromo-3-ethylphenoxy)acetic acid?
The canonical SMILES for 2-(4-bromo-3-ethylphenoxy)acetic acid is CCc1cc(OCC(=O)O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-ethylphenoxy)acetic acid?
The InChIKey is OACYRJMURIKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-7-5-8(3-4-9(7)11)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-3-ethylphenoxy)acetic acid?
2-(4-bromo-3-ethylphenoxy)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethylphenoxy)acetic acid is sourced from PubChem (CID 14207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).