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

C8H6Br2O3 — CID 520452

IUPAC2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)c(Br)c1O
InChIInChI=1S/C8H6Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2-3,12H,1H3
InChIKeyWKLKGSHBXNPUDU-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.74
Rot. Bonds2

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

2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 520452) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
PubChem CID520452
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)c(Br)c1O
InChIInChI=1S/C8H6Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2-3,12H,1H3
InChIKeyWKLKGSHBXNPUDU-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-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 57362942
2,3-dibromo-4,5-dihydroxybenzaldehyde
CID 11346984
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 2274594
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
2-acetyl-3,4-dihydroxy-5-methoxybenzaldehyde
CID 102396426
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde (CID 520452) is 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is WKLKGSHBXNPUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2-3,12H,1H3.
What are the key properties of 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde?
2,3-dibromo-4-hydroxy-5-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 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 520452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).