4-bromo-2-methoxybenzaldehyde

C8H7BrO2 — CID 11053041

IUPAC4-bromo-2-methoxybenzaldehyde
SMILESCOc1cc(Br)ccc1C=O
InChIInChI=1S/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKeyYMXQYZABFWVXEK-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.27
Rot. Bonds2

About 4-bromo-2-methoxybenzaldehyde

4-bromo-2-methoxybenzaldehyde (PubChem CID 11053041) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 4-bromo-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-methoxybenzaldehyde
PubChem CID11053041
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name4-bromo-2-methoxybenzaldehyde
SMILESCOc1cc(Br)ccc1C=O
InChIInChI=1S/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKeyYMXQYZABFWVXEK-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxybenzaldehyde?
The IUPAC name of 4-bromo-2-methoxybenzaldehyde (CID 11053041) is 4-bromo-2-methoxybenzaldehyde.
What is the SMILES notation for 4-bromo-2-methoxybenzaldehyde?
The canonical SMILES for 4-bromo-2-methoxybenzaldehyde is COc1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-methoxybenzaldehyde?
The InChIKey is YMXQYZABFWVXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3.
What are the key properties of 4-bromo-2-methoxybenzaldehyde?
4-bromo-2-methoxybenzaldehyde has a molecular weight of 215.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxybenzaldehyde is sourced from PubChem (CID 11053041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).