2-(5-bromo-2-formylphenoxy)propanoic acid

C10H9BrO4 — CID 175669416

IUPAC2-(5-bromo-2-formylphenoxy)propanoic acid
SMILESCC(Oc1cc(Br)ccc1C=O)C(=O)O
InChIInChI=1S/C10H9BrO4/c1-6(10(13)14)15-9-4-8(11)3-2-7(9)5-12/h2-6H,1H3,(H,13,14)
InChIKeyQAPZRCNGHHBRAN-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.11
Rot. Bonds4

About 2-(5-bromo-2-formylphenoxy)propanoic acid

2-(5-bromo-2-formylphenoxy)propanoic acid (PubChem CID 175669416) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-(5-bromo-2-formylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(5-bromo-2-formylphenoxy)propanoic acid
PubChem CID175669416
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name2-(5-bromo-2-formylphenoxy)propanoic acid
SMILESCC(Oc1cc(Br)ccc1C=O)C(=O)O
InChIInChI=1S/C10H9BrO4/c1-6(10(13)14)15-9-4-8(11)3-2-7(9)5-12/h2-6H,1H3,(H,13,14)
InChIKeyQAPZRCNGHHBRAN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid
CID 138686194
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
(2S)-2-(5-bromo-2-cyanophenoxy)propanoic acid
CID 131211264
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
CID 82006187
methyl 2-(2-formyl-5-methylphenoxy)propanoate
CID 23286419
2-(5-bromo-2-methylphenoxy)-3-methylbutanoic acid
CID 107283135

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-formylphenoxy)propanoic acid?
The IUPAC name of 2-(5-bromo-2-formylphenoxy)propanoic acid (CID 175669416) is 2-(5-bromo-2-formylphenoxy)propanoic acid.
What is the SMILES notation for 2-(5-bromo-2-formylphenoxy)propanoic acid?
The canonical SMILES for 2-(5-bromo-2-formylphenoxy)propanoic acid is CC(Oc1cc(Br)ccc1C=O)C(=O)O.
What is the InChIKey of 2-(5-bromo-2-formylphenoxy)propanoic acid?
The InChIKey is QAPZRCNGHHBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-6(10(13)14)15-9-4-8(11)3-2-7(9)5-12/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-2-formylphenoxy)propanoic acid?
2-(5-bromo-2-formylphenoxy)propanoic acid has a molecular weight of 273.08 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-formylphenoxy)propanoic acid is sourced from PubChem (CID 175669416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).