2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde

C8H7BrO4 — CID 24769860

IUPAC2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
SMILESCOc1c(O)cc(C=O)c(Br)c1O
InChIInChI=1S/C8H7BrO4/c1-13-8-5(11)2-4(3-10)6(9)7(8)12/h2-3,11-12H,1H3
InChIKeyCDVXYXFYYSZQMK-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.68
Rot. Bonds2

About 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde

2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde (PubChem CID 24769860) has the molecular formula C8H7BrO4 and a molecular weight of 247.04 g/mol. Its IUPAC name is 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
PubChem CID24769860
Molecular FormulaC8H7BrO4
Molecular Weight247.04 g/mol
Exact Mass245.95
IUPAC Name2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
SMILESCOc1c(O)cc(C=O)c(Br)c1O
InChIInChI=1S/C8H7BrO4/c1-13-8-5(11)2-4(3-10)6(9)7(8)12/h2-3,11-12H,1H3
InChIKeyCDVXYXFYYSZQMK-UHFFFAOYSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2,3-dibromo-4,5-dihydroxybenzaldehyde
CID 11346984
3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
CID 105453179
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde
CID 19861815
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
2,5-dibromo-3,4-dihydroxybenzaldehyde
CID 3613602
3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3-bromo-4-hydroxynaphthalene-2-carbaldehyde
CID 141051977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde?
The IUPAC name of 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde (CID 24769860) is 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde is COc1c(O)cc(C=O)c(Br)c1O.
What is the InChIKey of 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde?
The InChIKey is CDVXYXFYYSZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO4/c1-13-8-5(11)2-4(3-10)6(9)7(8)12/h2-3,11-12H,1H3.
What are the key properties of 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde?
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde has a molecular weight of 247.04 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 24769860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).