5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde

C13H11BrO3 — CID 107285070

IUPAC5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
SMILESCc1ccc(Br)cc1OCc1ccc(C=O)o1
InChIInChI=1S/C13H11BrO3/c1-9-2-3-10(14)6-13(9)16-8-12-5-4-11(7-15)17-12/h2-7H,8H2,1H3
InChIKeyCJPZDNRSSUXVDF-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.74
Rot. Bonds4

About 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde

5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde (PubChem CID 107285070) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
PubChem CID107285070
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
SMILESCc1ccc(Br)cc1OCc1ccc(C=O)o1
InChIInChI=1S/C13H11BrO3/c1-9-2-3-10(14)6-13(9)16-8-12-5-4-11(7-15)17-12/h2-7H,8H2,1H3
InChIKeyCJPZDNRSSUXVDF-UHFFFAOYSA-N
XLogP3.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
CID 97035067
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
CID 107284300
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 843215
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbaldehyde
CID 3252961

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde (CID 107285070) is 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde is Cc1ccc(Br)cc1OCc1ccc(C=O)o1.
What is the InChIKey of 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde?
The InChIKey is CJPZDNRSSUXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-9-2-3-10(14)6-13(9)16-8-12-5-4-11(7-15)17-12/h2-7H,8H2,1H3.
What are the key properties of 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde?
5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde has a molecular weight of 295.13 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 107285070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).