3,5-dibromo-2,4-dimethoxybenzaldehyde

C9H8Br2O3 — CID 42626303

IUPAC3,5-dibromo-2,4-dimethoxybenzaldehyde
SMILESCOc1c(Br)cc(C=O)c(OC)c1Br
InChIInChI=1S/C9H8Br2O3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3
InChIKeyZQWNNAAHCFHFOB-UHFFFAOYSA-N
MW323.97 g/mol
LogP3.04
Rot. Bonds3

About 3,5-dibromo-2,4-dimethoxybenzaldehyde

3,5-dibromo-2,4-dimethoxybenzaldehyde (PubChem CID 42626303) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is 3,5-dibromo-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2,4-dimethoxybenzaldehyde
PubChem CID42626303
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Name3,5-dibromo-2,4-dimethoxybenzaldehyde
SMILESCOc1c(Br)cc(C=O)c(OC)c1Br
InChIInChI=1S/C9H8Br2O3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3
InChIKeyZQWNNAAHCFHFOB-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 53.04
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

3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
4-(aminomethyl)-5-bromo-2,3-dimethoxybenzaldehyde
CID 84713721
2-(6-bromo-4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117487778
5-bromo-4-(1-hydroxycyclopropyl)-2,3-dimethoxybenzaldehyde
CID 117484846
5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
CID 163323842
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
6-bromo-5,7,8-trimethoxy-2-oxochromene-3-carbaldehyde
CID 134911721
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde
CID 19861815
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,4-dimethoxybenzaldehyde?
The IUPAC name of 3,5-dibromo-2,4-dimethoxybenzaldehyde (CID 42626303) is 3,5-dibromo-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-2,4-dimethoxybenzaldehyde is COc1c(Br)cc(C=O)c(OC)c1Br.
What is the InChIKey of 3,5-dibromo-2,4-dimethoxybenzaldehyde?
The InChIKey is ZQWNNAAHCFHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3.
What are the key properties of 3,5-dibromo-2,4-dimethoxybenzaldehyde?
3,5-dibromo-2,4-dimethoxybenzaldehyde has a molecular weight of 323.97 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 42626303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).