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

C14H19BrO5 — CID 104563415

IUPAC3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOc1c(Br)cccc1C=O
InChIInChI=1S/C14H19BrO5/c1-17-5-6-18-7-8-19-9-10-20-14-12(11-16)3-2-4-13(14)15/h2-4,11H,5-10H2,1H3
InChIKeyORAVPVNQIGMRAX-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.32
Rot. Bonds11

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

3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde (PubChem CID 104563415) has the molecular formula C14H19BrO5 and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
PubChem CID104563415
Molecular FormulaC14H19BrO5
Molecular Weight347.20 g/mol
Exact Mass346.04
IUPAC Name3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOc1c(Br)cccc1C=O
InChIInChI=1S/C14H19BrO5/c1-17-5-6-18-7-8-19-9-10-20-14-12(11-16)3-2-4-13(14)15/h2-4,11H,5-10H2,1H3
InChIKeyORAVPVNQIGMRAX-UHFFFAOYSA-N
XLogP2.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-hydroxyethoxy)ethoxy]benzaldehyde
CID 61391298
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 54962323
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
3-bromo-2-butoxybenzaldehyde
CID 61390829
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
3-formyl-2-(2-methoxyethoxy)benzonitrile
CID 177016506
methyl 4-[(2-bromo-6-formylphenoxy)methyl]benzoate
CID 61390817
3-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408903
1-bromo-3-(chloromethyl)-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410432
2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
CID 155578596

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde (CID 104563415) is 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde is COCCOCCOCCOc1c(Br)cccc1C=O.
What is the InChIKey of 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The InChIKey is ORAVPVNQIGMRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO5/c1-17-5-6-18-7-8-19-9-10-20-14-12(11-16)3-2-4-13(14)15/h2-4,11H,5-10H2,1H3.
What are the key properties of 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde has a molecular weight of 347.20 g/mol, XLogP of 2.32, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 104563415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).