2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde

C10H10Br2O3 — CID 17311099

IUPAC2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
SMILESCCOc1cc(Br)c(Br)c(C=O)c1OC
InChIInChI=1S/C10H10Br2O3/c1-3-15-8-4-7(11)9(12)6(5-13)10(8)14-2/h4-5H,3H2,1-2H3
InChIKeyOUXSYUYZBZRJSE-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.43
Rot. Bonds4

About 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde

2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde (PubChem CID 17311099) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
PubChem CID17311099
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
SMILESCCOc1cc(Br)c(Br)c(C=O)c1OC
InChIInChI=1S/C10H10Br2O3/c1-3-15-8-4-7(11)9(12)6(5-13)10(8)14-2/h4-5H,3H2,1-2H3
InChIKeyOUXSYUYZBZRJSE-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.43
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

2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
4-acetyl-2-bromo-6-ethoxybenzaldehyde
CID 171001177
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
2-bromo-4-butoxy-5-ethoxybenzaldehyde
CID 19578043
3-bromo-5-ethoxy-4-methoxypyridine
CID 105490406
(5-bromo-2-ethoxy-4-formylphenyl) acetate
CID 7021626
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde?
The IUPAC name of 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde (CID 17311099) is 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde is CCOc1cc(Br)c(Br)c(C=O)c1OC.
What is the InChIKey of 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde?
The InChIKey is OUXSYUYZBZRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-3-15-8-4-7(11)9(12)6(5-13)10(8)14-2/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde?
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde has a molecular weight of 338.00 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde is sourced from PubChem (CID 17311099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).