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

C9H8Br2O3 — CID 790680

IUPAC2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
SMILESCCOc1cc(Br)c(Br)c(C=O)c1O
InChIInChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
InChIKeyMZAISYPWQNBWED-UHFFFAOYSA-N
MW323.97 g/mol
LogP3.13
Rot. Bonds3

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

2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde (PubChem CID 790680) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
PubChem CID790680
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Name2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
SMILESCCOc1cc(Br)c(Br)c(C=O)c1O
InChIInChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
InChIKeyMZAISYPWQNBWED-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-hydroxy-3-methoxybenzaldehyde
CID 262238
2-Bromo-5-hydroxy-4-methoxybenzaldehyde
CID 616068
6-Bromo-2-hydroxy-3-methoxybenzaldehyde
CID 262237
2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2,3-Dibromo-6-hydroxy-5-methoxybenzaldehyde
CID 5039109
Ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate
CID 1475187
5-Bromo-2,3-dimethoxybenzaldehyde
CID 322405
3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
CID 612496
Vanillin, 6-bromo-
CID 43376
2-Acetoxy-3methoxy-6bromo-benzaldehyde
CID 10192904
6-Bromo-2,3-dimethoxybenzaldehyde
CID 4671952
5-Bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde
CID 2779279

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde?
The IUPAC name of 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde (CID 790680) is 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde is CCOc1cc(Br)c(Br)c(C=O)c1O.
What is the InChIKey of 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde?
The InChIKey is MZAISYPWQNBWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3.
What are the key properties of 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde?
2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde has a molecular weight of 323.97 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde is sourced from PubChem (CID 790680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).