5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde

C12H8Br2O2 — CID 169334657

IUPAC5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(-c2ccc(C=O)o2)cc1Br
InChIInChI=1S/C12H8Br2O2/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3
InChIKeyZEIAOZTVTHYXIR-UHFFFAOYSA-N
MW344.00 g/mol
LogP4.59
Rot. Bonds2

About 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde

5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde (PubChem CID 169334657) has the molecular formula C12H8Br2O2 and a molecular weight of 344.00 g/mol. Its IUPAC name is 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
PubChem CID169334657
Molecular FormulaC12H8Br2O2
Molecular Weight344.00 g/mol
Exact Mass341.89
IUPAC Name5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(-c2ccc(C=O)o2)cc1Br
InChIInChI=1S/C12H8Br2O2/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3
InChIKeyZEIAOZTVTHYXIR-UHFFFAOYSA-N
XLogP4.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 54.59
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

5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
CID 169335903
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
CID 106886524
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde (CID 169334657) is 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde is Cc1cc(Br)c(-c2ccc(C=O)o2)cc1Br.
What is the InChIKey of 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde?
The InChIKey is ZEIAOZTVTHYXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3.
What are the key properties of 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde?
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde has a molecular weight of 344.00 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).