2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one

C15H12BrFO2 — CID 114674200

IUPAC2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
SMILESCC(Oc1cc(Br)ccc1F)C(=O)c1ccccc1
InChIInChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-9-12(16)7-8-13(14)17/h2-10H,1H3
InChIKeyHFOFIKGHGJBCDH-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.24
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one

2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one (PubChem CID 114674200) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
PubChem CID114674200
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
SMILESCC(Oc1cc(Br)ccc1F)C(=O)c1ccccc1
InChIInChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-9-12(16)7-8-13(14)17/h2-10H,1H3
InChIKeyHFOFIKGHGJBCDH-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
(1-oxo-1-phenylpropan-2-yl) 5-bromo-2-fluorobenzoate
CID 55338939
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
CID 63038697
1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60626925
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one (CID 114674200) is 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one is CC(Oc1cc(Br)ccc1F)C(=O)c1ccccc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one?
The InChIKey is HFOFIKGHGJBCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-9-12(16)7-8-13(14)17/h2-10H,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one?
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one has a molecular weight of 323.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 114674200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).