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

C13H8BrFO2 — CID 15143249

IUPAC4-(4-bromo-2-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-8H
InChIKeyGOPUPXLEXOICHA-UHFFFAOYSA-N
MW295.11 g/mol
LogP4.19
Rot. Bonds3

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

4-(4-bromo-2-fluorophenoxy)benzaldehyde (PubChem CID 15143249) has the molecular formula C13H8BrFO2 and a molecular weight of 295.11 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)benzaldehyde
PubChem CID15143249
Molecular FormulaC13H8BrFO2
Molecular Weight295.11 g/mol
Exact Mass293.97
IUPAC Name4-(4-bromo-2-fluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H8BrFO2/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-8H
InChIKeyGOPUPXLEXOICHA-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-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
CID 64720224
4-[4-(4-bromo-2-fluorophenoxy)phenyl]but-3-en-2-one
CID 4712647
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
2-(4-bromophenoxy)-5-formylbenzonitrile
CID 114063339
4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
CID 173255133
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzaldehyde?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzaldehyde (CID 15143249) is 4-(4-bromo-2-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)benzaldehyde?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)benzaldehyde?
The InChIKey is GOPUPXLEXOICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-8H.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)benzaldehyde?
4-(4-bromo-2-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-(4-bromo-2-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 15143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).