5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde

C13H11BrO3 — CID 169333559

IUPAC5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
SMILESCOc1cc(Br)cc(-c2ccc(C=O)o2)c1C
InChIInChI=1S/C13H11BrO3/c1-8-11(5-9(14)6-13(8)16-2)12-4-3-10(7-15)17-12/h3-7H,1-2H3
InChIKeyNBZKHZLKOHCJGO-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.84
Rot. Bonds3

About 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde

5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde (PubChem CID 169333559) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
PubChem CID169333559
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
SMILESCOc1cc(Br)cc(-c2ccc(C=O)o2)c1C
InChIInChI=1S/C13H11BrO3/c1-8-11(5-9(14)6-13(8)16-2)12-4-3-10(7-15)17-12/h3-7H,1-2H3
InChIKeyNBZKHZLKOHCJGO-UHFFFAOYSA-N
XLogP3.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.84
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-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
CID 169335754
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde (CID 169333559) is 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde is COc1cc(Br)cc(-c2ccc(C=O)o2)c1C.
What is the InChIKey of 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde?
The InChIKey is NBZKHZLKOHCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-8-11(5-9(14)6-13(8)16-2)12-4-3-10(7-15)17-12/h3-7H,1-2H3.
What are the key properties of 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde?
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde has a molecular weight of 295.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).