3-bromo-4-(2-methoxyethoxy)benzaldehyde

C10H11BrO3 — CID 60698673

IUPAC3-bromo-4-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(C=O)cc1Br
InChIInChI=1S/C10H11BrO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyONQIDXDWYADRGI-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.29
Rot. Bonds5

About 3-bromo-4-(2-methoxyethoxy)benzaldehyde

3-bromo-4-(2-methoxyethoxy)benzaldehyde (PubChem CID 60698673) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)benzaldehyde
PubChem CID60698673
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-bromo-4-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(C=O)cc1Br
InChIInChI=1S/C10H11BrO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyONQIDXDWYADRGI-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(4-methylpentoxy)benzaldehyde
CID 83156913
3-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzaldehyde
CID 22683798
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
3-bromo-4-(4,4,4-trifluorobutoxy)benzaldehyde
CID 115514041
3-bromo-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 2219754
2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
CID 60623792
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
3-bromo-4-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222127
3-bromo-4-prop-2-ynoxybenzaldehyde
CID 2161996
5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
CID 141397740
3-bromo-4-(5-phenylpentoxy)benzaldehyde
CID 87319543

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)benzaldehyde?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)benzaldehyde (CID 60698673) is 3-bromo-4-(2-methoxyethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)benzaldehyde is COCCOc1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)benzaldehyde?
The InChIKey is ONQIDXDWYADRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-bromo-4-(2-methoxyethoxy)benzaldehyde?
3-bromo-4-(2-methoxyethoxy)benzaldehyde has a molecular weight of 259.10 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)benzaldehyde is sourced from PubChem (CID 60698673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).