5-bromo-2-ethoxy-3-methoxybenzaldehyde

C10H11BrO3 — CID 20994235

IUPAC5-bromo-2-ethoxy-3-methoxybenzaldehyde
SMILESCCOc1c(C=O)cc(Br)cc1OC
InChIInChI=1S/C10H11BrO3/c1-3-14-10-7(6-12)4-8(11)5-9(10)13-2/h4-6H,3H2,1-2H3
InChIKeyJZUWJQJBYIZEFU-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-2-ethoxy-3-methoxybenzaldehyde

5-bromo-2-ethoxy-3-methoxybenzaldehyde (PubChem CID 20994235) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-ethoxy-3-methoxybenzaldehyde
PubChem CID20994235
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name5-bromo-2-ethoxy-3-methoxybenzaldehyde
SMILESCCOc1c(C=O)cc(Br)cc1OC
InChIInChI=1S/C10H11BrO3/c1-3-14-10-7(6-12)4-8(11)5-9(10)13-2/h4-6H,3H2,1-2H3
InChIKeyJZUWJQJBYIZEFU-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.67
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-2,3-diethoxybenzaldehyde
CID 100582069
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
5-bromo-3-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22681475
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049
2-amino-5-bromo-3-methoxybenzaldehyde
CID 15380445
2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
CID 121210363
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
2,3-diethoxy-5-iodobenzaldehyde
CID 100582153
2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
CID 28913362
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
3-bromo-5-chloro-2-ethoxybenzaldehyde
CID 22134786

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-3-methoxybenzaldehyde?
The IUPAC name of 5-bromo-2-ethoxy-3-methoxybenzaldehyde (CID 20994235) is 5-bromo-2-ethoxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-bromo-2-ethoxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-bromo-2-ethoxy-3-methoxybenzaldehyde is CCOc1c(C=O)cc(Br)cc1OC.
What is the InChIKey of 5-bromo-2-ethoxy-3-methoxybenzaldehyde?
The InChIKey is JZUWJQJBYIZEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-3-14-10-7(6-12)4-8(11)5-9(10)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-3-methoxybenzaldehyde?
5-bromo-2-ethoxy-3-methoxybenzaldehyde has a molecular weight of 259.10 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-3-methoxybenzaldehyde is sourced from PubChem (CID 20994235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).