5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde

C12H9BrO3 — CID 169333590

IUPAC5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(O)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C12H9BrO3/c1-7-4-9(12(15)10(13)5-7)11-3-2-8(6-14)16-11/h2-6,15H,1H3
InChIKeyCPFJSJAOANJWKC-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.54
Rot. Bonds2

About 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde

5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde (PubChem CID 169333590) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
PubChem CID169333590
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Name5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
SMILESCc1cc(Br)c(O)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C12H9BrO3/c1-7-4-9(12(15)10(13)5-7)11-3-2-8(6-14)16-11/h2-6,15H,1H3
InChIKeyCPFJSJAOANJWKC-UHFFFAOYSA-N
XLogP3.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.54
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-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
CID 169334795
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
CID 169335903
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde (CID 169333590) is 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde is Cc1cc(Br)c(O)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde?
The InChIKey is CPFJSJAOANJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3/c1-7-4-9(12(15)10(13)5-7)11-3-2-8(6-14)16-11/h2-6,15H,1H3.
What are the key properties of 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde?
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde has a molecular weight of 281.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).