3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde

C11H13BrO4 — CID 61391298

IUPAC3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCCOCCO
InChIInChI=1S/C11H13BrO4/c12-10-3-1-2-9(8-14)11(10)16-7-6-15-5-4-13/h1-3,8,13H,4-7H2
InChIKeyCUALIARBJSJHQP-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.65
Rot. Bonds7

About 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde

3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde (PubChem CID 61391298) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
PubChem CID61391298
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCCOCCO
InChIInChI=1S/C11H13BrO4/c12-10-3-1-2-9(8-14)11(10)16-7-6-15-5-4-13/h1-3,8,13H,4-7H2
InChIKeyCUALIARBJSJHQP-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 54962323
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
3-bromo-2-butoxybenzaldehyde
CID 61390829
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
CID 61391450
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
3-bromo-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 61391435
methyl 4-[(2-bromo-6-formylphenoxy)methyl]benzoate
CID 61390817
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
3-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528030

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde (CID 61391298) is 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde is O=Cc1cccc(Br)c1OCCOCCO.
What is the InChIKey of 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde?
The InChIKey is CUALIARBJSJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c12-10-3-1-2-9(8-14)11(10)16-7-6-15-5-4-13/h1-3,8,13H,4-7H2.
What are the key properties of 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde?
3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde has a molecular weight of 289.12 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 61391298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).