5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde

C13H11BrO2 — CID 169333111

IUPAC5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
SMILESCCc1ccc(-c2ccc(C=O)o2)cc1Br
InChIInChI=1S/C13H11BrO2/c1-2-9-3-4-10(7-12(9)14)13-6-5-11(8-15)16-13/h3-8H,2H2,1H3
InChIKeyHYDMLKSIORNJQN-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.08
Rot. Bonds3

About 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde

5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde (PubChem CID 169333111) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
PubChem CID169333111
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
SMILESCCc1ccc(-c2ccc(C=O)o2)cc1Br
InChIInChI=1S/C13H11BrO2/c1-2-9-3-4-10(7-12(9)14)13-6-5-11(8-15)16-13/h3-8H,2H2,1H3
InChIKeyHYDMLKSIORNJQN-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.08
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-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
CID 50880518
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde (CID 169333111) is 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde is CCc1ccc(-c2ccc(C=O)o2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde?
The InChIKey is HYDMLKSIORNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-2-9-3-4-10(7-12(9)14)13-6-5-11(8-15)16-13/h3-8H,2H2,1H3.
What are the key properties of 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde?
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde has a molecular weight of 279.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).