5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde

C18H11BrO3 — CID 169336137

IUPAC5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2C(=O)c2ccccc2)o1
InChIInChI=1S/C18H11BrO3/c19-13-6-8-15(17-9-7-14(11-20)22-17)16(10-13)18(21)12-4-2-1-3-5-12/h1-11H
InChIKeyFRUFZMHNRJZBNL-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.75
Rot. Bonds4

About 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde

5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde (PubChem CID 169336137) has the molecular formula C18H11BrO3 and a molecular weight of 355.19 g/mol. Its IUPAC name is 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
PubChem CID169336137
Molecular FormulaC18H11BrO3
Molecular Weight355.19 g/mol
Exact Mass353.99
IUPAC Name5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2C(=O)c2ccccc2)o1
InChIInChI=1S/C18H11BrO3/c19-13-6-8-15(17-9-7-14(11-20)22-17)16(10-13)18(21)12-4-2-1-3-5-12/h1-11H
InChIKeyFRUFZMHNRJZBNL-UHFFFAOYSA-N
XLogP4.75
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[6-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]furan-2-carbaldehyde
CID 169334872
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865
[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
CID 175168856
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
CID 169335903
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 168527954
N-(2-benzoyl-4-bromophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 5262426
5-bromo-2-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50884482
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde (CID 169336137) is 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)cc2C(=O)c2ccccc2)o1.
What is the InChIKey of 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde?
The InChIKey is FRUFZMHNRJZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO3/c19-13-6-8-15(17-9-7-14(11-20)22-17)16(10-13)18(21)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde?
5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde has a molecular weight of 355.19 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169336137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).