5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde

C11H7BrO3 — CID 169331808

IUPAC5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2O)o1
InChIInChI=1S/C11H7BrO3/c12-7-1-3-9(10(14)5-7)11-4-2-8(6-13)15-11/h1-6,14H
InChIKeyPFBCEJOGIMYIRV-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde

5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde (PubChem CID 169331808) has the molecular formula C11H7BrO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
PubChem CID169331808
Molecular FormulaC11H7BrO3
Molecular Weight267.08 g/mol
Exact Mass265.96
IUPAC Name5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2O)o1
InChIInChI=1S/C11H7BrO3/c12-7-1-3-9(10(14)5-7)11-4-2-8(6-13)15-11/h1-6,14H
InChIKeyPFBCEJOGIMYIRV-UHFFFAOYSA-N
XLogP3.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.23
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-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
CID 169336137
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde (CID 169331808) is 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)cc2O)o1.
What is the InChIKey of 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde?
The InChIKey is PFBCEJOGIMYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO3/c12-7-1-3-9(10(14)5-7)11-4-2-8(6-13)15-11/h1-6,14H.
What are the key properties of 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde?
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde has a molecular weight of 267.08 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169331808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).