4-bromo-2,6-dimethylbenzaldehyde

C9H9BrO — CID 11020222

IUPAC4-bromo-2,6-dimethylbenzaldehyde
SMILESCc1cc(Br)cc(C)c1C=O
InChIInChI=1S/C9H9BrO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3
InChIKeyJFRPWJDOGGLZFS-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.88
Rot. Bonds1

About 4-bromo-2,6-dimethylbenzaldehyde

4-bromo-2,6-dimethylbenzaldehyde (PubChem CID 11020222) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-bromo-2,6-dimethylbenzaldehyde
PubChem CID11020222
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name4-bromo-2,6-dimethylbenzaldehyde
SMILESCc1cc(Br)cc(C)c1C=O
InChIInChI=1S/C9H9BrO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3
InChIKeyJFRPWJDOGGLZFS-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-bromo-2,6-dimethylbenzaldehyde (CID 11020222) is 4-bromo-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-bromo-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-bromo-2,6-dimethylbenzaldehyde is Cc1cc(Br)cc(C)c1C=O.
What is the InChIKey of 4-bromo-2,6-dimethylbenzaldehyde?
The InChIKey is JFRPWJDOGGLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3.
What are the key properties of 4-bromo-2,6-dimethylbenzaldehyde?
4-bromo-2,6-dimethylbenzaldehyde has a molecular weight of 213.07 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 11020222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).