5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde

C11H6Br2O3 — CID 169332104

IUPAC5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Br)c(O)c(Br)c2)o1
InChIInChI=1S/C11H6Br2O3/c12-8-3-6(4-9(13)11(8)15)10-2-1-7(5-14)16-10/h1-5,15H
InChIKeyXOBWMKLRIMVQBZ-UHFFFAOYSA-N
MW345.97 g/mol
LogP3.99
Rot. Bonds2

About 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde

5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde (PubChem CID 169332104) has the molecular formula C11H6Br2O3 and a molecular weight of 345.97 g/mol. Its IUPAC name is 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
PubChem CID169332104
Molecular FormulaC11H6Br2O3
Molecular Weight345.97 g/mol
Exact Mass343.87
IUPAC Name5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Br)c(O)c(Br)c2)o1
InChIInChI=1S/C11H6Br2O3/c12-8-3-6(4-9(13)11(8)15)10-2-1-7(5-14)16-10/h1-5,15H
InChIKeyXOBWMKLRIMVQBZ-UHFFFAOYSA-N
XLogP3.99
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.97
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
CID 50880518
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid
CID 169334277
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde (CID 169332104) is 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(Br)c(O)c(Br)c2)o1.
What is the InChIKey of 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde?
The InChIKey is XOBWMKLRIMVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2O3/c12-8-3-6(4-9(13)11(8)15)10-2-1-7(5-14)16-10/h1-5,15H.
What are the key properties of 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde?
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde has a molecular weight of 345.97 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).