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

C11H7BrO2 — CID 619577

IUPAC5-(4-bromophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKeyQRTAOOSYSVHQGT-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.52
Rot. Bonds2

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

5-(4-bromophenyl)furan-2-carbaldehyde (PubChem CID 619577) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromophenyl)furan-2-carbaldehyde
PubChem CID619577
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name5-(4-bromophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKeyQRTAOOSYSVHQGT-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.52
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-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
1-bromo-4-cyclohexylbenzene;5-(4-cyclohexylphenyl)furan-2-carbaldehyde;(5-formylfuran-2-yl)boronic acid
CID 160919573
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]furan-2-carbaldehyde
CID 169333546
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromophenyl)furan-2-carbaldehyde (CID 619577) is 5-(4-bromophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)furan-2-carbaldehyde?
The InChIKey is QRTAOOSYSVHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H.
What are the key properties of 5-(4-bromophenyl)furan-2-carbaldehyde?
5-(4-bromophenyl)furan-2-carbaldehyde has a molecular weight of 251.08 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 619577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).