5-bromo-2,3-diethoxybenzaldehyde

C11H13BrO3 — CID 100582069

IUPAC5-bromo-2,3-diethoxybenzaldehyde
SMILESCCOc1cc(Br)cc(C=O)c1OCC
InChIInChI=1S/C11H13BrO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyPVLILOMFFCEMCO-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-2,3-diethoxybenzaldehyde

5-bromo-2,3-diethoxybenzaldehyde (PubChem CID 100582069) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2,3-diethoxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-2,3-diethoxybenzaldehyde
PubChem CID100582069
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name5-bromo-2,3-diethoxybenzaldehyde
SMILESCCOc1cc(Br)cc(C=O)c1OCC
InChIInChI=1S/C11H13BrO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyPVLILOMFFCEMCO-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2,3-diethoxy-5-iodobenzaldehyde
CID 100582153
3-bromo-5-chloro-2-ethoxybenzaldehyde
CID 22134786
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
5-bromo-2-[(E)-but-2-enoxy]-3-methylbenzaldehyde
CID 112620685
5-bromo-3-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22681475
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-diethoxybenzaldehyde?
The IUPAC name of 5-bromo-2,3-diethoxybenzaldehyde (CID 100582069) is 5-bromo-2,3-diethoxybenzaldehyde.
What is the SMILES notation for 5-bromo-2,3-diethoxybenzaldehyde?
The canonical SMILES for 5-bromo-2,3-diethoxybenzaldehyde is CCOc1cc(Br)cc(C=O)c1OCC.
What is the InChIKey of 5-bromo-2,3-diethoxybenzaldehyde?
The InChIKey is PVLILOMFFCEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-14-10-6-9(12)5-8(7-13)11(10)15-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2,3-diethoxybenzaldehyde?
5-bromo-2,3-diethoxybenzaldehyde has a molecular weight of 273.13 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-diethoxybenzaldehyde is sourced from PubChem (CID 100582069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).