3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde

C9H9BrO2 — CID 84692353

IUPAC3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(O)c1Br
InChIInChI=1S/C9H9BrO2/c1-5-3-6(2)8(10)9(12)7(5)4-11/h3-4,12H,1-2H3
InChIKeyABCSUGDNQYECJJ-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.58
Rot. Bonds1

About 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde

3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde (PubChem CID 84692353) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
PubChem CID84692353
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(O)c1Br
InChIInChI=1S/C9H9BrO2/c1-5-3-6(2)8(10)9(12)7(5)4-11/h3-4,12H,1-2H3
InChIKeyABCSUGDNQYECJJ-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-3,5-dimethylphenol
CID 10660357
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
CID 601986
3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
CID 71334263
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2,4-dibromo-6-methylbenzaldehyde
CID 102195216
4-hydroxy-2,3,6-trimethylbenzaldehyde
CID 11309702
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
CID 14915371
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
2,5-dibromo-3,6-dimethylterephthalaldehyde
CID 10936093
4-bromo-3-hydroxy-2,5-dimethylbenzoic acid
CID 84802761
2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde?
The IUPAC name of 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde (CID 84692353) is 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde?
The canonical SMILES for 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde is Cc1cc(C)c(C=O)c(O)c1Br.
What is the InChIKey of 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde?
The InChIKey is ABCSUGDNQYECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-5-3-6(2)8(10)9(12)7(5)4-11/h3-4,12H,1-2H3.
What are the key properties of 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde?
3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde has a molecular weight of 229.07 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde is sourced from PubChem (CID 84692353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).