2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde

C11H13BrO3 — CID 11097704

IUPAC2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(C=O)c1Br
InChIInChI=1S/C11H13BrO3/c1-6-7(2)11(15-4)9(12)8(5-13)10(6)14-3/h5H,1-4H3
InChIKeyHAVSEOPGAUZMLX-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.90
Rot. Bonds3

About 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde

2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde (PubChem CID 11097704) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
PubChem CID11097704
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(C=O)c1Br
InChIInChI=1S/C11H13BrO3/c1-6-7(2)11(15-4)9(12)8(5-13)10(6)14-3/h5H,1-4H3
InChIKeyHAVSEOPGAUZMLX-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
CID 10775498
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
CID 88634868
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
2,5-dibromo-3,6-dimethylterephthalaldehyde
CID 10936093
2-bromo-3,4,6-trifluoro-5-methoxybenzaldehyde
CID 174784326
4,6-dibromo-2,5-dimethylbenzene-1,3-dicarbaldehyde
CID 10969238
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
CID 11266173
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
CID 84712956
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The IUPAC name of 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde (CID 11097704) is 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde is COc1c(C)c(C)c(OC)c(C=O)c1Br.
What is the InChIKey of 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The InChIKey is HAVSEOPGAUZMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-6-7(2)11(15-4)9(12)8(5-13)10(6)14-3/h5H,1-4H3.
What are the key properties of 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde has a molecular weight of 273.13 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 11097704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).