4-bromo-2-(4-fluorophenoxy)benzaldehyde

C13H8BrFO2 — CID 43173970

IUPAC4-bromo-2-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8H
InChIKeyGTKAXMUTDKEWMR-UHFFFAOYSA-N
MW295.11 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-2-(4-fluorophenoxy)benzaldehyde

4-bromo-2-(4-fluorophenoxy)benzaldehyde (PubChem CID 43173970) has the molecular formula C13H8BrFO2 and a molecular weight of 295.11 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(4-fluorophenoxy)benzaldehyde
PubChem CID43173970
Molecular FormulaC13H8BrFO2
Molecular Weight295.11 g/mol
Exact Mass293.97
IUPAC Name4-bromo-2-(4-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8H
InChIKeyGTKAXMUTDKEWMR-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 54.19
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

4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710
2-(4-bromophenoxy)benzaldehyde
CID 28604058
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
CID 43364721
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
CID 107087063
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
CID 114042688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorophenoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(4-fluorophenoxy)benzaldehyde (CID 43173970) is 4-bromo-2-(4-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(4-fluorophenoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(4-fluorophenoxy)benzaldehyde is O=Cc1ccc(Br)cc1Oc1ccc(F)cc1.
What is the InChIKey of 4-bromo-2-(4-fluorophenoxy)benzaldehyde?
The InChIKey is GTKAXMUTDKEWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8H.
What are the key properties of 4-bromo-2-(4-fluorophenoxy)benzaldehyde?
4-bromo-2-(4-fluorophenoxy)benzaldehyde has a molecular weight of 295.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 43173970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).