3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde

C16H14Br2O4 — CID 28913666

IUPAC3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccc(OCCOc2c(Br)cc(Br)cc2C=O)cc1
InChIInChI=1S/C16H14Br2O4/c1-20-13-2-4-14(5-3-13)21-6-7-22-16-11(10-19)8-12(17)9-15(16)18/h2-5,8-10H,6-7H2,1H3
InChIKeyVWXZPJMPQPSRPO-UHFFFAOYSA-N
MW430.09 g/mol
LogP4.49
Rot. Bonds7

About 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde

3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde (PubChem CID 28913666) has the molecular formula C16H14Br2O4 and a molecular weight of 430.09 g/mol. Its IUPAC name is 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde
PubChem CID28913666
Molecular FormulaC16H14Br2O4
Molecular Weight430.09 g/mol
Exact Mass427.93
IUPAC Name3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccc(OCCOc2c(Br)cc(Br)cc2C=O)cc1
InChIInChI=1S/C16H14Br2O4/c1-20-13-2-4-14(5-3-13)21-6-7-22-16-11(10-19)8-12(17)9-15(16)18/h2-5,8-10H,6-7H2,1H3
InChIKeyVWXZPJMPQPSRPO-UHFFFAOYSA-N
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.09
LogP ≤ 54.49
H-Bond Donors ≤ 50
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

3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
CID 2282940
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
5-bromo-3-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22681475
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
CID 86660065

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde (CID 28913666) is 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde is COc1ccc(OCCOc2c(Br)cc(Br)cc2C=O)cc1.
What is the InChIKey of 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde?
The InChIKey is VWXZPJMPQPSRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O4/c1-20-13-2-4-14(5-3-13)21-6-7-22-16-11(10-19)8-12(17)9-15(16)18/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde?
3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde has a molecular weight of 430.09 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 28913666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).