5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde

C13H9BrO3 — CID 169335903

IUPAC5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
SMILESCC(=O)c1ccc(Br)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H9BrO3/c1-8(16)9-2-4-12(14)11(6-9)13-5-3-10(7-15)17-13/h2-7H,1H3
InChIKeyILWSTUHINQLAJF-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.72
Rot. Bonds3

About 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde

5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde (PubChem CID 169335903) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
PubChem CID169335903
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
SMILESCC(=O)c1ccc(Br)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H9BrO3/c1-8(16)9-2-4-12(14)11(6-9)13-5-3-10(7-15)17-13/h2-7H,1H3
InChIKeyILWSTUHINQLAJF-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.72
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

5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
CID 169332455
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
CID 106886524

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde (CID 169335903) is 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde is CC(=O)c1ccc(Br)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde?
The InChIKey is ILWSTUHINQLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c1-8(16)9-2-4-12(14)11(6-9)13-5-3-10(7-15)17-13/h2-7H,1H3.
What are the key properties of 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde?
5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde has a molecular weight of 293.12 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).