4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde

C15H13BrO2 — CID 43364688

IUPAC4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
SMILESCc1cccc(C)c1Oc1cc(Br)ccc1C=O
InChIInChI=1S/C15H13BrO2/c1-10-4-3-5-11(2)15(10)18-14-8-13(16)7-6-12(14)9-17/h3-9H,1-2H3
InChIKeyQTWVHSHAGUFLRK-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde

4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde (PubChem CID 43364688) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
PubChem CID43364688
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
SMILESCc1cccc(C)c1Oc1cc(Br)ccc1C=O
InChIInChI=1S/C15H13BrO2/c1-10-4-3-5-11(2)15(10)18-14-8-13(16)7-6-12(14)9-17/h3-9H,1-2H3
InChIKeyQTWVHSHAGUFLRK-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-bromo-2-(4-bromo-2-methyl-6-nitrophenoxy)benzaldehyde
CID 79842280
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 61030930
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde (CID 43364688) is 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde is Cc1cccc(C)c1Oc1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde?
The InChIKey is QTWVHSHAGUFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10-4-3-5-11(2)15(10)18-14-8-13(16)7-6-12(14)9-17/h3-9H,1-2H3.
What are the key properties of 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde?
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde has a molecular weight of 305.17 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde is sourced from PubChem (CID 43364688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).