2-(3-bromophenyl)-2-methoxyacetaldehyde

C9H9BrO2 — CID 83840143

IUPAC2-(3-bromophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1cccc(Br)c1
InChIInChI=1S/C9H9BrO2/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-6,9H,1H3
InChIKeyVSIOUELQAKXFKG-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-bromophenyl)-2-methoxyacetaldehyde

2-(3-bromophenyl)-2-methoxyacetaldehyde (PubChem CID 83840143) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methoxyacetaldehyde
PubChem CID83840143
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-(3-bromophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1cccc(Br)c1
InChIInChI=1S/C9H9BrO2/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-6,9H,1H3
InChIKeyVSIOUELQAKXFKG-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-(3-methylphenyl)acetaldehyde
CID 83826728
2-(3-bromophenyl)butanal
CID 83839920
2-(3-bromophenyl)-4-methylpentanal
CID 83844088
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
methyl 4-[3-(3-bromophenyl)-4-oxobutan-2-yl]benzoate
CID 87329845
2-(3-bromophenyl)-2-pyridin-1-ium-1-ylacetaldehyde bromide
CID 174551535
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
amino-(3-bromophenyl)methanethiol
CID 116939544
1-bromo-3-[(2R)-but-3-en-2-yl]benzene
CID 42611824
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)ethanamine;ethane
CID 142874111

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(3-bromophenyl)-2-methoxyacetaldehyde (CID 83840143) is 2-(3-bromophenyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(3-bromophenyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(3-bromophenyl)-2-methoxyacetaldehyde is COC(C=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-methoxyacetaldehyde?
The InChIKey is VSIOUELQAKXFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-6,9H,1H3.
What are the key properties of 2-(3-bromophenyl)-2-methoxyacetaldehyde?
2-(3-bromophenyl)-2-methoxyacetaldehyde has a molecular weight of 229.07 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 83840143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).