3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde

C8H6Br2O3 — CID 3506623

IUPAC3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(Br)cc(C=O)c(O)c1Br
InChIInChI=1S/C8H6Br2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeySWPANPHWQRNQGO-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.74
Rot. Bonds2

About 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde

3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde (PubChem CID 3506623) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
PubChem CID3506623
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(Br)cc(C=O)c(O)c1Br
InChIInChI=1S/C8H6Br2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeySWPANPHWQRNQGO-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.74
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

3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde
CID 19861815
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
2-amino-5-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 3146363
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
CID 86053223
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde (CID 3506623) is 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde is COc1c(Br)cc(C=O)c(O)c1Br.
What is the InChIKey of 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde?
The InChIKey is SWPANPHWQRNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3.
What are the key properties of 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde?
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde has a molecular weight of 309.94 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 3506623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).