2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one

C15H10BrCl2FO2 — CID 63567423

IUPAC2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Oc1ccc(F)cc1Br)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl2FO2/c1-8(21-14-5-3-10(19)7-12(14)16)15(20)11-4-2-9(17)6-13(11)18/h2-8H,1H3
InChIKeyQOFZIZYMDBQGCC-UHFFFAOYSA-N
MW392.05 g/mol
LogP5.55
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one

2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 63567423) has the molecular formula C15H10BrCl2FO2 and a molecular weight of 392.05 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID63567423
Molecular FormulaC15H10BrCl2FO2
Molecular Weight392.05 g/mol
Exact Mass389.92
IUPAC Name2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Oc1ccc(F)cc1Br)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl2FO2/c1-8(21-14-5-3-10(19)7-12(14)16)15(20)11-4-2-9(17)6-13(11)18/h2-8H,1H3
InChIKeyQOFZIZYMDBQGCC-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.05
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 107285078
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one (CID 63567423) is 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one is CC(Oc1ccc(F)cc1Br)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is QOFZIZYMDBQGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FO2/c1-8(21-14-5-3-10(19)7-12(14)16)15(20)11-4-2-9(17)6-13(11)18/h2-8H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 392.05 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 63567423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).