5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde

C13H11BrO2 — CID 169332790

IUPAC5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(C)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H11BrO2/c1-8-5-11(9(2)12(14)6-8)13-4-3-10(7-15)16-13/h3-7H,1-2H3
InChIKeySDYXMWJHRTYQLX-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.14
Rot. Bonds2

About 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde

5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde (PubChem CID 169332790) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
PubChem CID169332790
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(C)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H11BrO2/c1-8-5-11(9(2)12(14)6-8)13-4-3-10(7-15)16-13/h3-7H,1-2H3
InChIKeySDYXMWJHRTYQLX-UHFFFAOYSA-N
XLogP4.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.14
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-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde (CID 169332790) is 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde is Cc1cc(Br)c(C)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde?
The InChIKey is SDYXMWJHRTYQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-8-5-11(9(2)12(14)6-8)13-4-3-10(7-15)16-13/h3-7H,1-2H3.
What are the key properties of 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde?
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde has a molecular weight of 279.13 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).